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Chemistry
Heterocyclic Building Blocks
Pyrimidines
4-Methoxy-2-methylpyrimidin-5-amine
Chemistry
Heterocyclic Building Blocks
Organic Building Blocks
Pyrimidines
Amines Ethers

[ CAS No. 53135-45-8 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 53135-45-8
Chemical Structure| 53135-45-8
Chemical Structure| 53135-45-8
Structure of 53135-45-8 * Storage: {[proInfo.prStorage]}
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Quality Control of [ 53135-45-8 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 53135-45-8 ]

SDS Specification
Alternatived Products of [ 53135-45-8 ]

Product Details of [ 53135-45-8 ]

CAS No. :53135-45-8 MDL No. :MFCD09743865
Formula : C6H9N3O Boiling Point : -
Linear Structure Formula :- InChI Key :XEGDLNODDATISE-UHFFFAOYSA-N
M.W : 139.16 Pubchem ID :17764895
Synonyms :

Calculated chemistry of [ 53135-45-8 ]

Physicochemical Properties

Num. heavy atoms : 10
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 : 37.89
TPSA : 61.03 Ų

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) : -6.99 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.58
Log Po/w (XLOGP3) : 0.23
Log Po/w (WLOGP) : 0.38
Log Po/w (MLOGP) : -0.52
Log Po/w (SILICOS-IT) : 0.59
Consensus Log Po/w : 0.45

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.23
Solubility : 8.28 mg/ml ; 0.0595 mol/l
Class : Very soluble
Log S (Ali) : -1.07
Solubility : 11.8 mg/ml ; 0.0848 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -1.78
Solubility : 2.31 mg/ml ; 0.0166 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.92

Safety of [ 53135-45-8 ]

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

Application In Synthesis of [ 53135-45-8 ]

* 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 [ 53135-45-8 ]
  • Downstream synthetic route of [ 53135-45-8 ]

[ 53135-45-8 ] Synthesis Path-Upstream   1~3

  • 1
  • [ 88474-31-1 ]
  • [ 53135-45-8 ]
Reference： [1] Helvetica Chimica Acta, 1958, vol. 41, p. 1806,1812
  • 2
  • [ 13162-43-1 ]
  • [ 53135-45-8 ]
Reference： [1] Helvetica Chimica Acta, 1958, vol. 41, p. 1806,1812
  • 3
  • [ 60331-15-9 ]
  • [ 53135-45-8 ]
Reference： [1] Helvetica Chimica Acta, 1958, vol. 41, p. 1806,1812

Tags: 53135-45-8 synthesis path| 53135-45-8 SDS| 53135-45-8 COA| 53135-45-8 purity| 53135-45-8 application| 53135-45-8 NMR| 53135-45-8 COA| 53135-45-8 structure

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