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[ CAS No. 14631-20-0 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 14631-20-0
Chemical Structure| 14631-20-0
Structure of 14631-20-0 * Storage: {[proInfo.prStorage]}

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Product Details of [ 14631-20-0 ]

CAS No. :14631-20-0 MDL No. :MFCD00134466
Formula : C6H7N3O2 Boiling Point : -
Linear Structure Formula :(CH3CO)HNC4H3N2O InChI Key :IJCKBIINTQEGLY-UHFFFAOYSA-N
M.W : 153.14 Pubchem ID :99309
Synonyms :
Chemical Name :N-(2-Oxo-1,2-dihydropyrimidin-4-yl)acetamide

Calculated chemistry of [ 14631-20-0 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.17
Num. rotatable bonds : 2
Num. H-bond acceptors : 3.0
Num. H-bond donors : 2.0
Molar Refractivity : 39.17
TPSA : 74.85 ?2

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) : -8.03 cm/s

Lipophilicity

Log Po/w (iLOGP) : -0.03
Log Po/w (XLOGP3) : -1.12
Log Po/w (WLOGP) : -0.46
Log Po/w (MLOGP) : -0.57
Log Po/w (SILICOS-IT) : 0.56
Consensus Log Po/w : -0.32

Druglikeness

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

Water Solubility

Log S (ESOL) : -0.36
Solubility : 67.5 mg/ml ; 0.441 mol/l
Class : Very soluble
Log S (Ali) : 0.04
Solubility : 168.0 mg/ml ; 1.09 mol/l
Class : Highly soluble
Log S (SILICOS-IT) : -1.93
Solubility : 1.8 mg/ml ; 0.0117 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.62

Safety of [ 14631-20-0 ]

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