Home Cart 0 Sign in  
X

[ CAS No. 89793-12-4 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 89793-12-4
Chemical Structure| 89793-12-4
Chemical Structure| 89793-12-4
Structure of 89793-12-4 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 89793-12-4 ]

Related Doc. of [ 89793-12-4 ]

Alternatived Products of [ 89793-12-4 ]

Product Details of [ 89793-12-4 ]

CAS No. :89793-12-4 MDL No. :MFCD09863164
Formula : C7H7ClN2O2 Boiling Point : -
Linear Structure Formula :- InChI Key :IEMKQRSOAOPKRJ-UHFFFAOYSA-N
M.W :186.60 Pubchem ID :10487815
Synonyms :

Calculated chemistry of [ 89793-12-4 ]

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.29
Num. rotatable bonds : 3
Num. H-bond acceptors : 4.0
Num. H-bond donors : 0.0
Molar Refractivity : 43.13
TPSA : 52.08 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.39 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.03
Log Po/w (XLOGP3) : 1.48
Log Po/w (WLOGP) : 1.31
Log Po/w (MLOGP) : 0.48
Log Po/w (SILICOS-IT) : 1.68
Consensus Log Po/w : 1.4

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.1
Solubility : 1.48 mg/ml ; 0.00792 mol/l
Class : Soluble
Log S (Ali) : -2.18
Solubility : 1.23 mg/ml ; 0.0066 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.75
Solubility : 0.331 mg/ml ; 0.00177 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.61

Safety of [ 89793-12-4 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P280-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H332-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 89793-12-4 ]

* 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.

  • Upstream synthesis route of [ 89793-12-4 ]
  • Downstream synthetic route of [ 89793-12-4 ]

[ 89793-12-4 ] Synthesis Path-Upstream   1~19

  • 1
  • [ 89793-12-4 ]
  • [ 3167-50-8 ]
Reference: [1] Journal of the American Chemical Society, 1942, vol. 64, p. 794,797
  • 2
  • [ 89793-12-4 ]
  • [ 57401-76-0 ]
Reference: [1] Journal of the American Chemical Society, 1942, vol. 64, p. 794,797
[2] Chemical and Pharmaceutical Bulletin, 2000, vol. 48, # 10, p. 1504 - 1513
[3] Tetrahedron Letters, 2013, vol. 54, # 5, p. 414 - 418
  • 3
  • [ 95928-49-7 ]
  • [ 89793-12-4 ]
YieldReaction ConditionsOperation in experiment
52% for 2 h; Reflux Step d:
Ethyl 2-chloropyrimidine-5-carboxylate (Compound R-2-1)
A mixture of compound 204 (38.0 g, 153 mmol) and phosphoryl trichloride (300 mL) and N,N-dimethylaniline (3 mL) was heated at reflux for 2 h, cooled to room temperature and concentrated.
The residue was quenched carefully with ice-water, adjusted pH to 7-8 with sodium carbonate and extracted with EtOAc.
The combined organics were washed with ice-water and brine, dried over Na2SO4, evaporated, and purified by column chromatography (eluted with EtOAc/Hexanes, 10percent) to afford compound R-2-1 (15 g, 52percent) as a white solid. LCMS: 187 [M+1]+. 1H NMR (400 MHz, CDCl3): δ 1.36 (t, J=7.5 Hz, 3H), 4.39 (q, J=7.5 Hz, 2H), 9.08 (s, 2H).
52% With <i>N</i>,<i>N</i>-dimethyl-aniline; trichlorophosphate In <i>N</i>,<i>N</i>-dimethyl-aniline for 2 h; Reflux A mixture of compound 204 (38.0 g, 153 mmol) and phosphoryl trichloride (300 mL) and N, N-dimethylaniline (3 mL) was heated at reflux for 2 h, cooled to room temperature and concentrated. The residue was quenched carefully with ice-water, adjusted pH to 7-8 with sodium carbonate and extracted with EtOAc. The combined organics were washed with ice-water and brine, dried over Na2SO4, evaporated, and purified by column chromatography (eluted with EtOAc/Hexanes, 10percent) to afford compound R-2-1 (15 g, 52percent) as a white solid. LCMS: 187 [M+ljt ‘H NMR (400 MHz, CDC13): ö 1.36 (t, J 7.5 Hz, 3H), 4.39 (q, J 7.5 Hz, 2H), 9.08 (s, 2H).
30%
Stage #1: With trichlorophosphate In <i>N</i>,<i>N</i>-dimethyl-aniline for 1.5 h; Heating / reflux
Stage #2: at 0℃;
Step 11d:
Ethyl 2-chloropyrimidine-5-carboxylate (Compound 0405)
A mixture of 0404 (3.60 g, 21 mmol), phosphorus oxychloride (25 mL), and N,N-dimethylaniline (2.5 mL) was heated to reflux for 1.5 h.
After removal of the solvent, ice water (10 mL) was added to the residue.
The mixture was added to 2 N NaOH (90 ml), and extracted with EtOAc.
After work up the residue was purified by column chromatography on silica gel (ethyl acetate in petroleum ether, 5percent v/v) to give product 0405 (1.20 g, 30percent): LCMS: 187 [M+1]+, 1H NMR (300 MHz, CDCl3): δ 1.42 (t, J=7.5 Hz, 3H), 4.48 (q, J=7.5 Hz, 2H), 9.15 (s, 2H); 1H NMR (400 MHz, DMSO-d6): δ 1.33 (t, J=6.8 Hz, 3H); 4.37 (q, J=6.8 Hz, 2H), 9.18 (s, 2H).
30%
Stage #1: for 1.5 h; Reflux
Stage #2: With sodium hydroxide In waterCooling with ice
Step lOd: Ethyl 2-chloropyrimidine-5-carboxylate (Compound 0305)A mixture of compound 0304 (3.60 g, 21 mmol), phosphorus oxychloride ( 25 mL), and N,N-dimethylaniline (2.5 mL) was heated at reflux for 1.5 h. After removal of the solvent, ice water (10 mL) was added to the residue. The mixture was added to 2 N NaOH (90 ml), and extracted with EtOAc. The organic layer was evaporated and purified by column chromatography (ethyl acetate in petroleum ether, 5percent v/v) to give compound 0305 (1.20 g, 30percent): LCMS: 187 [M+l]+, 1H NMR (300 MHz, CDC13): δ 1.42 (t, J= 7.5 Hz , 3H), 4.48 (q, J= 7.5 Hz, 2H), 9.15 (s, 2H); 1H NMR (400 MHz, DMSO-d6): δ 1.33 (t, J = 6.8 Hz, 3H); 4.37 (q, J= 6.8 Hz, 2H), 9.18 (s, 2H).
30% for 1.5 h; Reflux Step 17d: Ethyl 2-chloropyrimidine-5-carboxylate (Compound 0605)A mixture of 0604 (3.60 g, 21 mmol), phosphorus oxychloride (25 mL), and N,N-dimethylaniline (2.5 mL) was heated to reflux for 1.5 h. After removal of the solvent, ice water (10 mL) was added to the residue. The mixture was added to 2 N NaOH (90 ml), and extracted with EtOAc. After work up the residue was purified by column chromatography on silica gel (ethyl acetate in petroleum ether, 5percent v/v) to give product 0605 (1.20 g, 30percent): LCMS: 187 [M+l]+, 1H NMR (300 MHz, CDC13): δ 1.42 (t, J= 7.5 Hz , 3H), 4.48 (q, J= 7.5 Hz, 2H), 9.15 (s, 2H); 1H NMR (400 MHz, DMSO-d6): δ 1.33 (t, J= 6.8 Hz, 3H); 4.37 (q, J= 6.8 Hz, 2H), 9.18 (s, 2H).
30% With trichlorophosphate In <i>N</i>,<i>N</i>-dimethyl-aniline; Petroleum ether for 1.5 h; Reflux Step 10d: Ethyl 2-chloropyrimidine-5-carboxylate (Compound 0305)[0216]A mixture of compound 0304 (3.60 g, 21 mmol), phosphorus oxychloride (25 mL), and N,N-dimethylaniline (2.5 mL) was heated at reflux for 1.5 h. After removal of the solvent, ice water (10 mL) was added to the residue. The mixture was added to 2 N NaOH (90 ml), and extracted with EtOAc. The organic layer was evaporated and purified by column chromatography (ethyl acetate in petroleum ether, 5percent v/v) to give compound 0305 (1.20 g, 30percent): LCMS: 187 [M+1]+, 1H NMR (300 MHz, CDCl3): δ 1.42 (t, J=7.5 Hz, 3H), 4.48 (q, J=7.5 Hz, 2H), 9.15 (s, 2H); 1H NMR (400 MHz, DMSO-d6): δ 1.33 (t, J=6.8 Hz, 3H); 4.37 (q, J=6.8 Hz, 2H), 9.18 (s, 2H).
1.2 g With trichlorophosphate In N,N-dimethyl-formamide for 1.5 h; Reflux Compound 0304 (3.60g, 21mmol), phosphorous oxychloride (25 mL), and N, was heated for 1.5 hours under reflux N- mixture of dimethyl aniline (2.5 mL). After removal of the solvent, it was added ice-water (10 mL) to the residue. The mixture was added to 2N NaOH (90ml), and extracted with EtOAc. The organic layer was evaporated and purified by column chromatography (petroleum ether containing ethyl acetate, 5percent v / v), compound 0305 (1.20g, 30percent) was obtained:

Reference: [1] Patent: US9249156, 2016, B2, . Location in patent: Page/Page column 34
[2] Patent: WO2018/85342, 2018, A1, . Location in patent: Page/Page column 26; 27; 28
[3] Patent: US2009/76006, 2009, A1, . Location in patent: Page/Page column 31; 40
[4] Patent: WO2011/130628, 2011, A1, . Location in patent: Page/Page column 138-139
[5] Patent: WO2009/36016, 2009, A1, . Location in patent: Page/Page column 69
[6] Patent: US2013/102595, 2013, A1, . Location in patent: Paragraph 0216
[7] Chemical and Pharmaceutical Bulletin, 2000, vol. 48, # 10, p. 1504 - 1513
[8] Patent: US2011/152295, 2011, A1, . Location in patent: Page/Page column 24
[9] Patent: JP2015/187145, 2015, A, . Location in patent: Paragraph 0202
  • 4
  • [ 95928-49-7 ]
  • [ 89793-12-4 ]
YieldReaction ConditionsOperation in experiment
56% for 8 h; Reflux Compound15 (168 mg, 1.0 mmol) was dissolved in POCl3, and thenrefluxed for 8 h. The extra POCl3 was removed by depressed pressuredistillation. The residues were treated with ice, and the precipitatewas filtered and washed by water to give compound 16(180 mg, 56percent) as a yellow solid. 1H NMR (300 MHz, CDCl3) d:9.16 (s, 2H), 4.46 (q, J = 6.0 Hz, 2H), 1.43 (t, J = 6.0 Hz, 3H).
45%
Stage #1: for 1.5 h; Reflux
Stage #2: With sodium hydroxide In water; ethyl acetate
A mixture of the compound 1 (2g, 12mmol), DMAP (1.32g, l lmmol) and POCl3 (20mL) was heated at reflux for 1.5h. After removal of the solvent, EA was added to the residual. The pH of the mixture was adjusted to 7 with aq. NaOH (2M), the organic layer was then separated, washed with brine. After removal of the solvent, the residual was extracted with PE and dried over Na2S04, evaporation of the solvent gave a light yellow solid (lg, 45percent).
45%
Stage #1: for 1.5 h; Reflux
Stage #2: With sodium hydroxide In water
Synthesis of intermediate 2A mixture of the compound 1 (2g , 12 mmol), N,N'-dimethylaminopyridine (DMAP) (1.32 g, 11 mmol) and POCl3 (20 mL) was heated at reflux for 1.5h. After removal of the solvent, EA was added to the residual. The pH of the mixture was adjusted to 7 with aq. NaOH (2M), the organic layer was then separated, washed with brine. After removal of the solvent, the residual was extracted with PE and dried over Na2S04, evaporation of the solvent gave a light yellow solid (1 g, 45percent).
Reference: [1] Bioorganic and Medicinal Chemistry, 2016, vol. 24, # 4, p. 789 - 801
[2] Patent: WO2011/91213, 2011, A2, . Location in patent: Page/Page column 80-81
[3] Patent: WO2013/13113, 2013, A2, . Location in patent: Page/Page column 75-76
[4] Bioorganic and Medicinal Chemistry Letters, 2002, vol. 12, # 18, p. 2573 - 2577
[5] Patent: WO2018/85342, 2018, A1, . Location in patent: Page/Page column 26
  • 5
  • [ 763-69-9 ]
  • [ 89793-12-4 ]
Reference: [1] Chemical and Pharmaceutical Bulletin, 2000, vol. 48, # 10, p. 1504 - 1513
[2] Patent: US2011/152295, 2011, A1,
[3] Patent: WO2011/130628, 2011, A1,
[4] Patent: WO2009/36016, 2009, A1,
[5] Patent: US2014/18368, 2014, A1,
[6] Patent: US9249156, 2016, B2,
[7] Bioorganic and Medicinal Chemistry, 2016, vol. 24, # 4, p. 789 - 801
[8] Patent: JP2015/187145, 2015, A,
[9] Patent: EP3287459, 2018, A1,
[10] Patent: WO2018/85342, 2018, A1,
[11] Patent: US2013/102595, 2013, A1,
  • 6
  • [ 33458-27-4 ]
  • [ 89793-12-4 ]
Reference: [1] Chemical and Pharmaceutical Bulletin, 2000, vol. 48, # 10, p. 1504 - 1513
[2] Patent: US2011/152295, 2011, A1,
[3] Patent: WO2011/130628, 2011, A1,
[4] Patent: WO2009/36016, 2009, A1,
[5] Patent: US2014/18368, 2014, A1,
[6] Patent: US9249156, 2016, B2,
[7] Bioorganic and Medicinal Chemistry, 2016, vol. 24, # 4, p. 789 - 801
[8] Patent: JP2015/187145, 2015, A,
[9] Patent: EP3287459, 2018, A1,
[10] Patent: WO2018/85342, 2018, A1,
  • 7
  • [ 879008-23-8 ]
  • [ 89793-12-4 ]
Reference: [1] Patent: WO2011/130628, 2011, A1,
[2] Patent: WO2009/36016, 2009, A1,
[3] Patent: US9249156, 2016, B2,
[4] Patent: WO2018/85342, 2018, A1,
  • 8
  • [ 2974-30-3 ]
  • [ 89793-12-4 ]
Reference: [1] Chemical and Pharmaceutical Bulletin, 2000, vol. 48, # 10, p. 1504 - 1513
[2] Patent: EP3287459, 2018, A1,
[3] Patent: US2013/102595, 2013, A1,
  • 9
  • [ 2223-96-3 ]
  • [ 89793-12-4 ]
Reference: [1] Journal of the American Chemical Society, 1942, vol. 64, p. 794,797
  • 10
  • [ 151323-66-9 ]
  • [ 89793-12-4 ]
Reference: [1] Journal of the American Chemical Society, 1942, vol. 64, p. 794,797
  • 11
  • [ 34780-29-5 ]
  • [ 89793-12-4 ]
Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2002, vol. 12, # 18, p. 2573 - 2577
  • 12
  • [ 1086272-71-0 ]
  • [ 89793-12-4 ]
Reference: [1] Patent: US2011/152295, 2011, A1,
  • 13
  • [ 89793-12-4 ]
  • [ 1753-50-0 ]
Reference: [1] Patent: US2011/152295, 2011, A1,
  • 14
  • [ 89793-12-4 ]
  • [ 98-80-6 ]
  • [ 85386-14-7 ]
YieldReaction ConditionsOperation in experiment
65% With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium carbonate In 1,4-dioxane at 100℃; General procedure: To a solution of and halide in the indicated solvent is added boronic acid or ester, carbonate base, and palladium catalyst at room temperature. After stirring at 100 °C overnight, the mixture is cooled and concentrated.Following Procedure B using ii (500 mg, 2.67 mrnol). dioxane (10 mL), phenylboronic acid (650 mg, 5.36 mmoi), potassium carbonate (1.85 g. 13.4 mmol), and Pd(dppf)C12 (50 mg), then purified by silica gel column chromatography (EA:PE = 1:100 to 1:50) to give 20 as a white solid (400 mg, 65percent yield). (MS: M+Hi 229.1)
Reference: [1] Patent: WO2017/176812, 2017, A1, . Location in patent: Paragraph 0215; 0248
  • 15
  • [ 6457-49-4 ]
  • [ 89793-12-4 ]
  • [ 875318-46-0 ]
YieldReaction ConditionsOperation in experiment
95% With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 2.5 h; Step 18a: Ethyl 2-(4-hydroxypiperidin-l-yl)pyrimidine-5-carboxylate (Compound 0701)A mixture of compound 0605 (900 mg, 4.84 mmol), piperidin-4-ylmethanol (0.56 g, 4.86 mmol) and potassium carbonate (330 mg, 2.39 mmol) in DMF (2 mL) was stirred at ambient temperature for 2.5 h. The DMF was removed under reduced pressure and the residue was poured into brine, filtered to obtain the product 0701 (1.20 g, 95 percent) as a yellow solid: LCMS: 266 [M+ 1]+. 1H NMR (400 MHz, DMSO- dβ) δ 1.10 (m, 2H), 1.29 (t, J= 7.2 Hz, 3H), 1.72 (m, 3H), 2.97 (m, 2H), 3.27 (m, 2H), 4.26 (q, J= 7.2 Hz, 2H), 4.75 (m, 2H), 8.76 (m, 2H).
Reference: [1] Patent: WO2009/36016, 2009, A1, . Location in patent: Page/Page column 70
  • 16
  • [ 89793-12-4 ]
  • [ 1316216-05-3 ]
Reference: [1] Patent: WO2011/91213, 2011, A2,
[2] Patent: WO2013/13113, 2013, A2,
[3] Patent: WO2018/98348, 2018, A1,
[4] Patent: US2015/99744, 2015, A1,
[5] Patent: US2015/105409, 2015, A1,
[6] Patent: US2015/119413, 2015, A1,
[7] Patent: US2015/150871, 2015, A1,
[8] Patent: WO2016/87950, 2016, A1,
[9] Patent: US2016/355486, 2016, A1,
[10] Patent: US2018/36306, 2018, A1,
[11] Patent: US2015/105384, 2015, A1,
[12] Patent: US2015/105383, 2015, A1,
[13] Patent: US2015/105358, 2015, A1,
[14] Patent: WO2016/7423, 2016, A1,
[15] Patent: WO2016/200919, 2016, A1,
[16] Patent: US2017/114023, 2017, A1,
[17] Patent: US9663825, 2017, B2,
[18] Patent: WO2017/143237, 2017, A1,
[19] Patent: WO2017/184774, 2017, A1,
[20] Patent: WO2017/214565, 2017, A1,
[21] Patent: WO2018/81556, 2018, A1,
[22] Patent: WO2018/98168, 2018, A1,
[23] Patent: WO2018/85652, 2018, A1,
[24] Patent: WO2018/81585, 2018, A1,
  • 17
  • [ 89793-12-4 ]
  • [ 1316214-52-4 ]
Reference: [1] Patent: WO2011/91213, 2011, A2,
[2] Patent: WO2013/13113, 2013, A2,
[3] Patent: US2015/99744, 2015, A1,
[4] Patent: US2015/105384, 2015, A1,
[5] Patent: US2015/105358, 2015, A1,
[6] Patent: US2015/119413, 2015, A1,
[7] Patent: US2015/105409, 2015, A1,
[8] Patent: US2015/105383, 2015, A1,
[9] Patent: US2015/150871, 2015, A1,
[10] Patent: US2015/176076, 2015, A1, . Location in patent: Page/Page column
[11] Patent: WO2016/7423, 2016, A1,
[12] Patent: WO2016/87950, 2016, A1,
[13] Patent: US2016/355486, 2016, A1,
[14] Patent: WO2016/200919, 2016, A1,
[15] Patent: US2017/114023, 2017, A1,
[16] Patent: US9663825, 2017, B2,
[17] Patent: WO2017/143237, 2017, A1,
[18] Patent: WO2017/184774, 2017, A1,
[19] Patent: WO2017/214565, 2017, A1,
[20] Patent: WO2018/81556, 2018, A1,
[21] Patent: WO2018/98168, 2018, A1,
[22] Patent: WO2018/85652, 2018, A1,
[23] Patent: WO2018/81585, 2018, A1,
[24] Patent: WO2018/98348, 2018, A1,
  • 18
  • [ 89793-12-4 ]
  • [ 1316215-12-9 ]
Reference: [1] Patent: US2016/355486, 2016, A1,
[2] Patent: US2016/355486, 2016, A1,
[3] Patent: WO2016/200919, 2016, A1,
[4] Patent: WO2016/200919, 2016, A1,
[5] Patent: US2018/36306, 2018, A1,
[6] Patent: WO2018/81556, 2018, A1,
[7] Patent: WO2018/81556, 2018, A1,
[8] Patent: WO2018/98168, 2018, A1,
[9] Patent: WO2018/98168, 2018, A1,
[10] Patent: WO2018/81585, 2018, A1,
[11] Patent: WO2018/81585, 2018, A1,
[12] Patent: WO2018/98348, 2018, A1,
[13] Patent: WO2018/98348, 2018, A1,
  • 19
  • [ 89793-12-4 ]
  • [ 1339928-25-4 ]
Reference: [1] Patent: US9249156, 2016, B2,
[2] Patent: US9249156, 2016, B2,
[3] Patent: WO2018/85342, 2018, A1,
[4] Patent: WO2018/85342, 2018, A1,
Same Skeleton Products
Historical Records

Related Functional Groups of
[ 89793-12-4 ]

Chlorides

Chemical Structure| 287714-35-6

[ 287714-35-6 ]

Methyl 2-chloropyrimidine-5-carboxylate

Similarity: 0.97

Chemical Structure| 374068-01-6

[ 374068-01-6 ]

2-Chloropyrimidine-5-carboxylic acid

Similarity: 0.90

Chemical Structure| 188781-08-0

[ 188781-08-0 ]

Ethyl 2-chloro-4-methylpyrimidine-5-carboxylate

Similarity: 0.90

Chemical Structure| 71406-78-5

[ 71406-78-5 ]

Ethyl 4-amino-2-chloropyrimidine-5-carboxylate

Similarity: 0.87

Chemical Structure| 858269-13-3

[ 858269-13-3 ]

Methyl 4-amino-2-chloropyrimidine-5-carboxylate

Similarity: 0.85

Esters

Chemical Structure| 287714-35-6

[ 287714-35-6 ]

Methyl 2-chloropyrimidine-5-carboxylate

Similarity: 0.97

Chemical Structure| 188781-08-0

[ 188781-08-0 ]

Ethyl 2-chloro-4-methylpyrimidine-5-carboxylate

Similarity: 0.90

Chemical Structure| 71406-78-5

[ 71406-78-5 ]

Ethyl 4-amino-2-chloropyrimidine-5-carboxylate

Similarity: 0.87

Chemical Structure| 858269-13-3

[ 858269-13-3 ]

Methyl 4-amino-2-chloropyrimidine-5-carboxylate

Similarity: 0.85

Chemical Structure| 51940-64-8

[ 51940-64-8 ]

Ethyl 2,4-Dichloro-5-pyrimidinecarboxylate

Similarity: 0.83

Related Parent Nucleus of
[ 89793-12-4 ]

Pyrimidines

Chemical Structure| 287714-35-6

[ 287714-35-6 ]

Methyl 2-chloropyrimidine-5-carboxylate

Similarity: 0.97

Chemical Structure| 374068-01-6

[ 374068-01-6 ]

2-Chloropyrimidine-5-carboxylic acid

Similarity: 0.90

Chemical Structure| 188781-08-0

[ 188781-08-0 ]

Ethyl 2-chloro-4-methylpyrimidine-5-carboxylate

Similarity: 0.90

Chemical Structure| 71406-78-5

[ 71406-78-5 ]

Ethyl 4-amino-2-chloropyrimidine-5-carboxylate

Similarity: 0.87

Chemical Structure| 858269-13-3

[ 858269-13-3 ]

Methyl 4-amino-2-chloropyrimidine-5-carboxylate

Similarity: 0.85