N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine

• ChemBase ID: 821683
• Molecular Formular: C18H22N6O
• Molecular Mass: 338.40688
• Monoisotopic Mass: 338.18550935
• SMILES: n1c(noc1CNc1c2c(nc(cc2C)C)ncn1)C1CCCCC1
• Canonical SMILES: Cc1cc(C)c2c(n1)ncnc2NCc1onc(n1)C1CCCCC1
• InChI: InChI=1S/C18H22N6O/c1-11-8-12(2)22-18-15(11)17(20-10-21-18)19-9-14-23-16(24-25-14)13-6-4-3-5-7-13/h8,10,13H,3-7,9H2,1-2H3,(H,19,20,21,22)
• InChIKey: NGJWBZFAIAEGKQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine
• IUPAC Traditional name: N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine
• Synonyms: N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.128153
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 3.57547
• LogD (pH = 7.4): 3.5851767
• Log P: 3.5853019
• Molar Refractivity: 98.7387 cm^3
• Polarizability: 35.941566 Å^3
• Polar Surface Area: 89.62 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 2.39
• LOG S: -3.71
• Polar Surface Area: 89.62 Å^2
• Rotatable Bonds: 4