[ CAS No. 81633-29-6 ] {[proInfo.proName]}

Name: 81633-29-6|Ethyl 2-amino-4-methylpyrimidine-5-carboxylate|98%
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SKU: A109391
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Quality Control of [ 81633-29-6 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

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Product Details of [ 81633-29-6 ]

CAS No. :	81633-29-6	MDL No. :	MFCD00052622
Formula :	C₈H₁₁N₃O₂	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	YBFVMJRSZCVJJP-UHFFFAOYSA-N
M.W :	181.19	Pubchem ID :	459813
Synonyms :

Calculated chemistry of [ 81633-29-6 ]

Physicochemical Properties

Num. heavy atoms :	13
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.38
Num. rotatable bonds :	3
Num. H-bond acceptors :	4.0
Num. H-bond donors :	1.0
Molar Refractivity :	47.49
TPSA :	78.1 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-7.07 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.52
Log Po/w (XLOGP3) :	0.47
Log Po/w (WLOGP) :	0.55
Log Po/w (MLOGP) :	0.06
Log Po/w (SILICOS-IT) :	0.78
Consensus Log Po/w :	0.68

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-1.4
Solubility :	7.16 mg/ml ; 0.0395 mol/l
Class :	Very soluble
Log S (Ali) :	-1.68
Solubility :	3.79 mg/ml ; 0.0209 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-2.16
Solubility :	1.25 mg/ml ; 0.0069 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.85

Safety of [ 81633-29-6 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P280-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H317-H319-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 81633-29-6 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Downstream synthetic route of [ 81633-29-6 ]

[ 81633-29-6 ] Synthesis Path-Downstream 1~22

1
[ 81633-29-6 ]
2-amino-4-methyl-pyrimidine-5-carboxylic acid hydrazide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With hydrazine hydrate

Reference： [1]Sirakawa et al. [Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1953, vol. 73, p. 598,600][Chem.Abstr., 1954, p. 9362] Morimoto [Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan, 1953, vol. 73, p. 648][Chem.Abstr., 1954, p. 5194]

2
[ 7234-25-5 ]
[ 81633-29-6 ]

Reference： [1]Huaxue Xuebao/Acta Chimica Sinica,1957,vol. 23,p. 145,150
Scientia Sinica (English Edition),1957,vol. 6,p. 853
Chem.Abstr.,1958,p. 14626

3
[ 593-85-1 ]
[ 3788-94-1 ]
[ 81633-29-6 ]

Yield	Reaction Conditions	Operation in experiment
	With sodium ethanolate

Reference： [1]Mitter; Palit [Journal of the Indian Chemical Society, 1925, vol. 2, p. 67][Chemisches Zentralblatt, 1926, vol. 97, # I, p. 118]

4
[ 81633-29-6 ]
[ 769-51-7 ]

Yield	Reaction Conditions	Operation in experiment
93%	With potassium hydroxide In methanol for 5h; Heating;
85%	Stage #1: 2-amino-4-methylpyrimidine-5-carboxylic acid ethyl ester With water; sodium hydroxide In tetrahydrofuran; ethanol at 60℃; Stage #2: With hydrogenchloride In tetrahydrofuran; water	18 Example 18 [0164] To a suspension of ethyl-2-amino-4-methylpririmidine-5-carboxylate (500 mg, 2.76 mmol) in Ethanol (50 mL)/THF(50 mL) was added a solution of sodium hydroxide in water (2N, 2.5 mL, 5.00 mmol) at room temperature.. The mixture was stirred at 60° C overnight. IN aqueous HCl was added until pH was about 3. The resulting solution was concentrated under reduced pressure and a large amount of white solids precipitated. The solids were collected by filtration and washed by water and then hexanes to provide compound 18 (360 mg 85% yield). IH NMR (500 MHz, DMSO-d6) δ 12.65 (br, IH), 8.60 (s, IH), 7.35 (br, 2H), 2.55 (s, 3H); ESI-MS: calcd for (C6H7N3O2) 153, found 154 (MH+), 152 ([M-H]-).
85%	With water; sodium hydroxide In methanol at 20℃;	3 Step 3: acid 43 To a solution of 42 (500 mg, 2.8 mrnoi) in MeOH (20 mL) and water (20 mL)is added NaOH (331 mg, 8.3 mrnoi). After stirring at room temperature overnight, themixture is concentrated and the residue is dissolved in water (10 rnL) and acidified to pH 1with concentrated aqueous HC1. The precipitale is collected by filtration and dried to give 43(330 mg, 85% yield). (MS: [M-1-HI 154.1)

71%	With sodium hydroxide In tetrahydrofuran; methanol at 20℃;
	With sodium hydroxide In ethanol
	Stage #1: 2-amino-4-methylpyrimidine-5-carboxylic acid ethyl ester With lithium hydroxide; water In tetrahydrofuran at 0 - 20℃; Alkaline aqueous solution; Stage #2: With hydrogenchloride In water Acidic aqueous solution;	3.1 Ethyl 2-amino-4-methylpyrimidine-5-carboxylate (1.0 g, 5.5 mmol) was added to an aqueous solution of 1M LiOH (19 mL) at 0 °C. 20 mL of THF was added to the suspension and the reaction mixture was allowed to warm to ambient temperature overnight. The solvent was evaporated and the resulting aqueous solution was acidified to pH 1 by addition of 3M HCl. The precipitate was filtered off and rinsed with water followed by washing with ethyl acetate. The white solid was dried in a vacuum oven at 50 °C overnight to yield the title compound.

Reference： [1]Schenone, Pietro; Sansebastiano, Laura; Mosti, Luisa [Journal of Heterocyclic Chemistry, 1990, vol. 27, # 2, p. 295 - 305]
[2]Current Patent Assignee: NANTWORKS LLC - WO2010/144345, 2010, A1 Location in patent: Page/Page column 72; 73
[3]Current Patent Assignee: THE UNIVERSITY OF TEXAS SYSTEM; IMMUNE SENSOR LLC - WO2017/176812, 2017, A1 Location in patent: Paragraph 0273
[4]Scott, William J.; Hentemann, Martin F.; Rowley, R. Bruce; Bull, Cathy O.; Jenkins, Susan; Bullion, Ann M.; Johnson, Jeffrey; Redman, Anikó; Robbins, Arthur H.; Esler, William; Fracasso, R. Paul; Garrison, Timothy; Hamilton, Mark; Michels, Martin; Wood, Jill E.; Wilkie, Dean P.; Xiao, Hong; Levy, Joan; Stasik, Enrico; Liu, Ningshu; Schaefer, Martina; Brands, Michael; Lefranc, Julien [ChemMedChem, 2016, p. 1517 - 1530]
[5]Yan; Ivanov; Dar'in; Lobanov; Potekhin [Chemistry of Heterocyclic Compounds, 2007, vol. 43, # 11, p. 1479 - 1480]
[6]Current Patent Assignee: SANTHERA PHARMACEUTICALS HOLDING AG; SWEDISH ORPHAN BIOVITRUM AB - EP2019099, 2009, A1 Location in patent: Page/Page column 16

5
ethyl 2-[(dimethylamino)methylene]-3-oxobutanoate [ No CAS ]
[ 593-87-3 ]
[ 81633-29-6 ]

Yield	Reaction Conditions	Operation in experiment
81%	With sodium ethanolate In ethanol for 1h; Heating;

Reference： [1]Schenone, Pietro; Sansebastiano, Laura; Mosti, Luisa [Journal of Heterocyclic Chemistry, 1990, vol. 27, # 2, p. 295 - 305]

6
[ 81633-29-6 ]
2-amino-5-acetyl-4-hydroxypyrimidine [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
80%	With potassium hydroxide In ethanol; water for 0.5h; Heating;
79%	With sodium ethanolate In ethanol at 78 - 100℃;
	Multi-step reaction with 2 steps 1: 10 h / Heating 2: potassium hydroxide / ethanol / Reflux

Reference： [1]Vardanyan; Hruby; Danagulyan; Mkrtchyan [Journal of Heterocyclic Chemistry, 2005, vol. 42, # 4, p. 557 - 562]
[2]Vartanyan, R. S.; Kazaryan, Zh. V.; Vartanyan, S. A. [Chemistry of Heterocyclic Compounds, 1982, vol. 18, # 11, p. 1212 - 1213][Khimiya Geterotsiklicheskikh Soedinenii, 1982, vol. 18, # 11, p. 1558 - 1559]
[3]Vardanyan, Ruben S.; Danagulyan, Gevork G.; Mkrtchyan, Armen D.; Hruby, Victor J. [Heterocyclic Communications, 2011, vol. 17, # 3-4, p. 129 - 133]

7
[ 81633-29-6 ]
[ 108-52-1 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: 93 percent / KOH / methanol / 5 h / Heating 2: 83 percent / 2 h / Heating

Reference： [1]Schenone, Pietro; Sansebastiano, Laura; Mosti, Luisa [Journal of Heterocyclic Chemistry, 1990, vol. 27, # 2, p. 295 - 305]

8
[ 3788-94-1 ]
[ 81633-29-6 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: ethanolic sodium ethylate 2: NH₃

Reference： [1]Chi; Wu [Huaxue Xuebao/Acta Chimica Sinica, 1957, vol. 23, p. 145,150][Scientia Sinica (English Edition), 1957, vol. 6, p. 853][Chem.Abstr., 1958, p. 14626]

9
[ 81633-29-6 ]
[ 106-37-6 ]
[ 926304-84-9 ]

Yield	Reaction Conditions	Operation in experiment
60%	With potassium <i>tert</i>-butylate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene In toluene at 100℃; for 16h;	Under N2, to a dry flask charged with 2-amino-4-methyl-pyrimidine-5-carboxylic acid ethyl ester (2.50 g, 13.8 mmol), 1,4-dibromobenzene (6.51 g, 27.6 mmol), ter-BuOK (2.02 g, 18.0 mmol), 4,5-bis(diphenylphosρhino)-9,9-dimethylxanthene (0.176 g, 0.304 mmol) and Pd2(dba)3 (0.126 g, 0.138 mmol) was added anhydrous toluene (100 mL). The mixture EPO was degassed and filled with N2 twice, and then was stirred at 100 0C for 16 h. After the mixture was cooled to room temperature, saturated aqueous NH4Cl solution (20 mL) and brine (50 mL) were added and the mixture was extracted with EtOAc/THF (3 X 60 mL, 5:1 v/v). The combined extracts were dried over anhydrous Na2SO4. After filtration through a silica gel plug the solvent was removed, and the residue was purified by recrystallization from EtOAc/hexanes to afford 2-(4-bromo-phenylamino)-4-methyl-pyrimidine-5-carboxylic acid ethyl ester as a pale yellow solid (2.80 g, 60%).

Reference： [1]Current Patent Assignee: SANOFI - WO2007/22371, 2007, A2 Location in patent: Page/Page column 66-67

10
[ 81633-29-6 ]
[ 1258197-20-4 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1.1: sodium hydroxide; water / ethanol; tetrahydrofuran / 60 °C 1.2: pH 3 2.1: thionyl chloride / 2 h / 80 °C 2.2: 0 - 20 °C

Reference： [1]Current Patent Assignee: NANTWORKS LLC - WO2010/144345, 2010, A1

11
[ 81633-29-6 ]
[ 1258197-07-7 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 3 steps 1.1: sodium hydroxide; water / ethanol; tetrahydrofuran / 60 °C 1.2: pH 3 2.1: thionyl chloride / 2 h / 80 °C 2.2: 0 - 20 °C 3.1: potassium carbonate; palladium diacetate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene / 1,4-dioxane / 0.12 h / 170 °C / Inert atmosphere; Microwave irradiation

Reference： [1]Current Patent Assignee: NANTWORKS LLC - WO2010/144345, 2010, A1

12
[ 17994-55-7 ]
[ 81633-29-6 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 3 steps 1: pyridinium chlorochromate 2: trichlorophosphate / 0.5 h / 105 °C 3: ammonia / tetrahydrofuran / 0.75 h / 20 °C

Reference： [1]Singh, Kamaljit; Singh, Kawaljit; Wan, Baojie; Franzblau, Scott; Chibale, Kelly; Balzarini, Jan [European Journal of Medicinal Chemistry, 2011, vol. 46, # 6, p. 2290 - 2294]

13
[ 6214-64-8 ]
[ 81633-29-6 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: trichlorophosphate / 0.5 h / 105 °C 2: ammonia / tetrahydrofuran / 0.75 h / 20 °C

Reference： [1]Singh, Kamaljit; Singh, Kawaljit; Wan, Baojie; Franzblau, Scott; Chibale, Kelly; Balzarini, Jan [European Journal of Medicinal Chemistry, 2011, vol. 46, # 6, p. 2290 - 2294]

14
[ 188781-08-0 ]
[ 81633-29-6 ]

Yield	Reaction Conditions	Operation in experiment
75%	With ammonia In tetrahydrofuran at 20℃; for 0.75h;	5.3. Synthesis of compounds 4a and b General procedure: Compound 3a and b (1.9 mmol) was treated with THF saturated with ammonia gas (evolved by warming 30% aqueous ammonia solution) at room temperature for 45 min. The resulting reaction mixture was distilled under reduced pressure to remove excess THF and crude product was purified through crystallization to afford compound 4a and 4b.

Reference： [1]Location in patent: experimental part Singh, Kamaljit; Singh, Kawaljit; Wan, Baojie; Franzblau, Scott; Chibale, Kelly; Balzarini, Jan [European Journal of Medicinal Chemistry, 2011, vol. 46, # 6, p. 2290 - 2294]

15
[ 81633-29-6 ]
[ 74-88-4 ]
2-amino-1,4-dimethyl-5-ethoxycarbonylpyrimidinium iodide [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
96%	for 10h; Heating;

16
[ 50-01-1 ]
[ 3788-94-1 ]
[ 81633-29-6 ]

Yield	Reaction Conditions	Operation in experiment
85%	Stage #1: guanidine hydrochloride With sodium ethanolate for 0.5h; Stage #2: 2-ethoxymethylene-3-oxobutanoic acid ethyl ester for 1h; Heating;
82%	In ethanol

Reference： [1]Location in patent: experimental part Vardanyan, Ruben S.; Danagulyan, Gevork G.; Mkrtchyan, Armen D.; Hruby, Victor J. [Heterocyclic Communications, 2011, vol. 17, # 3-4, p. 129 - 133]
[2]Vartanyan, R. S.; Kazaryan, Zh. V.; Vartanyan, S. A. [Chemistry of Heterocyclic Compounds, 1982, vol. 18, # 11, p. 1212 - 1213][Khimiya Geterotsiklicheskikh Soedinenii, 1982, vol. 18, # 11, p. 1558 - 1559]

17
[ 17082-61-0 ]
[ 81633-29-6 ]
[ 1290053-93-8 ]

Yield	Reaction Conditions	Operation in experiment
23%	With hydrogenchloride In tetrahydrofuran; 1,4-dioxane; dichloromethane at 0 - 80℃; for 8.5h;	47.1 1,2-bis(trimethylsilyl)oxy)cyclobut-1-ene (100 mg, 0.434 mmol) was added to a solution of -2-amino-5-nitropyrimidine (62.4 mg, 0.347 mmol) in 1.0M HCl/dioxane (1 mL), dichloromethane (4 mL), THF (4 mL) at 0° C. After 30 mins, mixture was heated at 80° C. for 8 hrs TLC showed presence of starting material around 5% (TLC system 10% methanol in chloroform) as no further progress was seen in reaction solvent was removed under vacuum. Chromatography on silica gel (gradient 10-40% ethyl acetate in hexane) afforded to give (off white solid) pure monomer. Compound was characterized by LCMS, NMR, HPLC and IRYield=25 mg (23%)Mol. Wt. 249.2, In LCMS MH+ was seen at 250, HPLC purity 99.2%NMR1H-DMSO-d6:1.23-1.29 (m, 3H), 2.15-2.28 (m, 2H), 2.53 (s, 3H) 2.80-2.98 (m, 2H), 4.2-4.26 (q, 2H), 5.04-5.12 (m, 1H),8.68 (s, 1H)

Reference： [1]Current Patent Assignee: CORNELL UNIVERSITY - US2012/295874, 2012, A1 Location in patent: Page/Page column 247

18
[ 81633-29-6 ]
[ 1032569-02-0 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: sodium hydroxide / methanol; tetrahydrofuran / 20 °C 2: N-ethyl-N,N-diisopropylamine; benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate / N,N-dimethyl-formamide / 20 °C

Reference： [1]Scott, William J.; Hentemann, Martin F.; Rowley, R. Bruce; Bull, Cathy O.; Jenkins, Susan; Bullion, Ann M.; Johnson, Jeffrey; Redman, Anikó; Robbins, Arthur H.; Esler, William; Fracasso, R. Paul; Garrison, Timothy; Hamilton, Mark; Michels, Martin; Wood, Jill E.; Wilkie, Dean P.; Xiao, Hong; Levy, Joan; Stasik, Enrico; Liu, Ningshu; Schaefer, Martina; Brands, Michael; Lefranc, Julien [ChemMedChem, 2016, p. 1517 - 1530]

19
[ 81633-29-6 ]
ethyl 2-bromo-4-methylpyrimidine-5-carboxylate [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
55.5%	With methyl bromide; isopentyl nitrite at 85℃; for 4h;	59 To a solution of ethyl 2-amino-4-methylpyrimidine-5-carboxylate (4.0 g, 22 mmol) inCHBr (66 mL) was added isopentyl nitrite (44 mL) and the mixture was stirred at 85°C for 4 h.The volatiles were removed and the residue was taken up by EtOAc (100 mL), which was washed by brine (100 mL x 2). The organic layer was dried over Na2SO4, concentrated and the residue was purified by silica gel flash column to give ethyl 2-bromo-4-methylpyrimidine-5- carboxylate (3.0 g, 55.5% yield) as a white solid. ‘H NMR (400 MHz, CDC13): 8.93 (s, 1H),4.41 (q, J= 7.2 Hz, 2H), 2.82 (s, 3H), 1.41 (t, J = 7.0 Hz, 3H).
55.5%	With Bromoform; isopentyl nitrite at 85℃; for 4h;

Reference： [1]Current Patent Assignee: RQX PHARMACEUTICALS INC; ROCHE HOLDING AG - WO2017/84630, 2017, A1 Location in patent: Paragraph 00471
[2]Current Patent Assignee: ROCHE HOLDING AG; RQX PHARMACEUTICALS INC - WO2018/149419, 2018, A1 Location in patent: Paragraph 00571

20
ethyl 2-[(dimethylamino)methylene]-3-oxobutanoate [ No CAS ]
[ 50-01-1 ]
[ 81633-29-6 ]

Yield	Reaction Conditions	Operation in experiment
800 mg	With sodium hydroxide In butan-1-ol at 120℃; for 2h;	2 Step 2: pyrirnidine 42 To a solution of 41 (3 g, 16.2 mmoi) and guanidine hydrochloride (155 g,16.2 mrnoi) in n-butanoi (50 mL) is added NaOH (648 mg, 16.2 rnrnoi). After stirring at120 °C for 2 hours, the mixture is concentrated and the residue is dissolved in EA(100 mL), washed with water (50 mL) and brine (50 rnL), dried over anhydrous sodium sulfate, filtered. concentrated, and triturated with n-hexane (50 niL). The solid is collected by filtration, washed with hexane (5 rnL x 3), and dried to give 42 as a white solid (800 mg, 28% yield). (MS: IM-F-H 182.1)

Reference： [1]Current Patent Assignee: THE UNIVERSITY OF TEXAS SYSTEM; IMMUNE SENSOR LLC - WO2017/176812, 2017, A1 Location in patent: Paragraph 0272

21
[ 141-97-9 ]
[ 81633-29-6 ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1: 20 °C 2: sodium hydroxide / butan-1-ol / 2 h / 120 °C

Reference： [1]Current Patent Assignee: THE UNIVERSITY OF TEXAS SYSTEM; IMMUNE SENSOR LLC - WO2017/176812, 2017, A1

22
[ 81633-29-6 ]
C₆H₉N₃O [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	Multi-step reaction with 2 steps 1.1: sodium hydroxide; water / methanol / 20 °C 2.1: isobutyl chloroformate; 4-methyl-morpholine / tetrahydrofuran / 0.17 h / -10 °C 2.2: 0.33 h / 0 - 20 °C

Reference： [1]Current Patent Assignee: THE UNIVERSITY OF TEXAS SYSTEM; IMMUNE SENSOR LLC - WO2017/176812, 2017, A1

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P337	If eye irritation persists:
P338	Remove contact lenses, if present and easy to do. Continue rinsing.
P340	Remove victim to fresh air and keep at rest in a position comfortable for breathing.
P341	If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P342	If experiencing respiratory symptoms:
P350	Gently wash with plenty of soap and water.
P351	Rinse cautiously with water for several minutes.
P352	Wash with plenty of soap and water.
P353	Rinse skin with water/shower.
P360	Rinse immediately contaminated clothing and skin with plenty of water before removing clothes.
P361	Remove/Take off immediately all contaminated clothing.
P362	Take off contaminated clothing and wash before reuse.
P363	Wash contaminated clothing before reuse.
P370	In case of fire:
P371	In case of major fire and large quantities:
P372	Explosion risk in case of fire.
P373	DO NOT fight fire when fire reaches explosives.
P374	Fight fire with normal precautions from a reasonable distance.
P376	Stop leak if safe to do so. Oxidising gases (section 2.4) 1
P377	Leaking gas fire: Do not extinguish, unless leak can be stopped safely.
P378
P380	Evacuate area.
P381	Eliminate all ignition sources if safe to do so.
P390	Absorb spillage to prevent material damage.
P391	Collect spillage. Hazardous to the aquatic environment
P301 + P310	IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P301 + P312	IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P301 + P330 + P331	IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P302 + P334	IF ON SKIN: Immerse in cool water/wrap in wet bandages.
P302 + P350	IF ON SKIN: Gently wash with plenty of soap and water.
P303 + P361 + P353	IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P304 + P312	IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell.
P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P304 + P341	IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P305 + P351 + P338	IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P306 + P360	IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes.
P307 + P311	IF exposed: call a POISON CENTER or doctor/physician.
P308 + P313	IF exposed or concerned: Get medical advice/attention.
P309 + P311	IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician.
P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
P333 + P313	IF SKIN irritation or rash occurs: Get medical advice/attention.
P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
P337 + P313	IF eye irritation persists: Get medical advice/attention.
P342 + P311	IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.
P370 + P376	In case of fire: Stop leak if safe to Do so.
P370 + P378	In case of fire:
P370 + P380	In case of fire: Evacuate area.
P370 + P380 + P375	In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion.
P371 + P380 + P375	In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion.
Storage
Code	Phrase
P401
P402	Store in a dry place.
P403	Store in a well-ventilated place.
P404	Store in a closed container.
P405	Store locked up.
P406	Store in corrosive resistant/ container with a resistant inner liner.
P407	Maintain air gap between stacks/pallets.
P410	Protect from sunlight.
P411
P412	Do not expose to temperatures exceeding 50 oC/ 122 oF.
P413
P420	Store away from other materials.
P422
P402 + P404	Store in a dry place. Store in a closed container.
P403 + P233	Store in a well-ventilated place. Keep container tightly closed.
P403 + P235	Store in a well-ventilated place. Keep cool.
P410 + P403	Protect from sunlight. Store in a well-ventilated place.
P410 + P412	Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF.
P411 + P235	Keep cool.
Disposal
Code	Phrase
P501	Dispose of contents/container to ...
P502	Refer to manufacturer/supplier for information on recovery/recycling

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Physical hazards
Code	Phrase
H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
H203	Explosive; fire, blast or projection hazard
H204	Fire or projection hazard
H205	May mass explode in fire
H220	Extremely flammable gas
H221	Flammable gas
H222	Extremely flammable aerosol
H223	Flammable aerosol
H224	Extremely flammable liquid and vapour
H225	Highly flammable liquid and vapour
H226	Flammable liquid and vapour
H227	Combustible liquid
H228	Flammable solid
H229	Pressurized container: may burst if heated
H230	May react explosively even in the absence of air
H231	May react explosively even in the absence of air at elevated pressure and/or temperature
H240	Heating may cause an explosion
H241	Heating may cause a fire or explosion
H242	Heating may cause a fire
H250	Catches fire spontaneously if exposed to air
H251	Self-heating; may catch fire
H252	Self-heating in large quantities; may catch fire
H260	In contact with water releases flammable gases which may ignite spontaneously
H261	In contact with water releases flammable gas
H270	May cause or intensify fire; oxidizer
H271	May cause fire or explosion; strong oxidizer
H272	May intensify fire; oxidizer
H280	Contains gas under pressure; may explode if heated
H281	Contains refrigerated gas; may cause cryogenic burns or injury
H290	May be corrosive to metals
Health hazards
Code	Phrase
H300	Fatal if swallowed
H301	Toxic if swallowed
H302	Harmful if swallowed
H303	May be harmful if swallowed
H304	May be fatal if swallowed and enters airways
H305	May be harmful if swallowed and enters airways
H310	Fatal in contact with skin
H311	Toxic in contact with skin
H312	Harmful in contact with skin
H313	May be harmful in contact with skin
H314	Causes severe skin burns and eye damage
H315	Causes skin irritation
H316	Causes mild skin irritation
H317	May cause an allergic skin reaction
H318	Causes serious eye damage
H319	Causes serious eye irritation
H320	Causes eye irritation
H330	Fatal if inhaled
H331	Toxic if inhaled
H332	Harmful if inhaled
H333	May be harmful if inhaled
H334	May cause allergy or asthma symptoms or breathing difficulties if inhaled
H335	May cause respiratory irritation
H336	May cause drowsiness or dizziness
H340	May cause genetic defects
H341	Suspected of causing genetic defects
H350	May cause cancer
H351	Suspected of causing cancer
H360	May damage fertility or the unborn child
H361	Suspected of damaging fertility or the unborn child
H361d	Suspected of damaging the unborn child
H362	May cause harm to breast-fed children
H370	Causes damage to organs
H371	May cause damage to organs
H372	Causes damage to organs through prolonged or repeated exposure
H373	May cause damage to organs through prolonged or repeated exposure
Environmental hazards
Code	Phrase
H400	Very toxic to aquatic life
H401	Toxic to aquatic life
H402	Harmful to aquatic life
H410	Very toxic to aquatic life with long-lasting effects
H411	Toxic to aquatic life with long-lasting effects
H412	Harmful to aquatic life with long-lasting effects
H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere

[ CAS No. 81633-29-6 ] {[proInfo.proName]}

Quality Control of [ 81633-29-6 ]

Related Doc. of [ 81633-29-6 ]

Product Details of [ 81633-29-6 ]

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Physicochemical Properties

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Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 81633-29-6 ]

Application In Synthesis of [ 81633-29-6 ]

[ 81633-29-6 ] Synthesis Path-Downstream 1~22

Related Functional Groups of [ 81633-29-6 ]

Esters

Amines

Related Parent Nucleus of [ 81633-29-6 ]

Pyrimidines

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Physical hazards

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[ 81633-29-6 ]

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[ 81633-29-6 ]