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Chemistry
Heterocyclic Building Blocks
Pyrimidines
4-Chloro-6-methoxy-2-methylpyrimidin-5-amine
Chemistry
Heterocyclic Building Blocks
Organic Building Blocks
Pyrimidines
Amines Chlorides Ethers

[ CAS No. 88474-31-1 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 88474-31-1
Chemical Structure| 88474-31-1
Chemical Structure| 88474-31-1
Structure of 88474-31-1 * Storage: {[proInfo.prStorage]}
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For Research Only 110K+ Compounds Competitive Price 1-2 Day Shipping

Quality Control of [ 88474-31-1 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 88474-31-1 ]

SDS Specification
Alternatived Products of [ 88474-31-1 ]

Product Details of [ 88474-31-1 ]

CAS No. :88474-31-1 MDL No. :MFCD01837887
Formula : C6H8ClN3O Boiling Point : -
Linear Structure Formula :- InChI Key :XOPAFBPYRUSQNI-UHFFFAOYSA-N
M.W : 173.60 Pubchem ID :4537748
Synonyms :

Calculated chemistry of [ 88474-31-1 ]

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.33
Num. rotatable bonds : 1
Num. H-bond acceptors : 3.0
Num. H-bond donors : 1.0
Molar Refractivity : 42.9
TPSA : 61.03 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.51 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.96
Log Po/w (XLOGP3) : 1.19
Log Po/w (WLOGP) : 1.04
Log Po/w (MLOGP) : 0.1
Log Po/w (SILICOS-IT) : 1.25
Consensus Log Po/w : 1.11

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.0
Solubility : 1.72 mg/ml ; 0.00992 mol/l
Class : Soluble
Log S (Ali) : -2.07
Solubility : 1.49 mg/ml ; 0.00856 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.42
Solubility : 0.658 mg/ml ; 0.00379 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.1

Safety of [ 88474-31-1 ]

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

Application In Synthesis of [ 88474-31-1 ]

* 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 [ 88474-31-1 ]
  • Downstream synthetic route of [ 88474-31-1 ]

[ 88474-31-1 ] Synthesis Path-Upstream   1~7

  • 1
  • [ 88474-31-1 ]
  • [ 53135-45-8 ]
Reference： [1] Helvetica Chimica Acta, 1958, vol. 41, p. 1806,1812
  • 2
  • [ 39906-04-2 ]
  • [ 124-41-4 ]
  • [ 88474-31-1 ]
Reference： [1] European Journal of Medicinal Chemistry, 2002, vol. 37, # 1, p. 23 - 34
  • 3
  • [ 67-56-1 ]
  • [ 39906-04-2 ]
  • [ 88474-31-1 ]
Reference： [1] Chemistry of Heterocyclic Compounds (New York, NY, United States), 1983, p. 1113 - 1115[2] Khimiya Geterotsiklicheskikh Soedinenii, 1983, vol. 19, # 10, p. 1398 - 1400
  • 4
  • [ 13162-43-1 ]
  • [ 88474-31-1 ]
Reference： [1] Chemistry of Heterocyclic Compounds (New York, NY, United States), 1983, p. 1113 - 1115[2] Khimiya Geterotsiklicheskikh Soedinenii, 1983, vol. 19, # 10, p. 1398 - 1400
[3] Helvetica Chimica Acta, 1958, vol. 41, p. 1806,1812
  • 5
  • [ 60331-15-9 ]
  • [ 88474-31-1 ]
Reference： [1] Helvetica Chimica Acta, 1958, vol. 41, p. 1806,1812
  • 6
  • [ 5391-39-9 ]
  • [ 88474-31-1 ]
  • [ 75438-57-2 ]
Reference： [1] Patent: WO2015/11010, 2015, A1, . Location in patent: Page/Page column 17; 18
  • 7
  • [ 88474-31-1 ]
  • [ 75438-57-2 ]
Reference： [1] Patent: EP2829540, 2015, A1,

Tags: 88474-31-1 synthesis path| 88474-31-1 SDS| 88474-31-1 COA| 88474-31-1 purity| 88474-31-1 application| 88474-31-1 NMR| 88474-31-1 COA| 88474-31-1 structure

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