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

• ChemBase ID: 614367
• Molecular Formular: C18H22N6O
• Molecular Mass: 338.40688
• Monoisotopic Mass: 338.18550935
• SMILES: n1c(onc1C1CC1)C(Nc1c2c(nc(cc2C)C)ncn1)C(C)C
• Canonical SMILES: CC(C(c1onc(n1)C1CC1)Nc1ncnc2c1c(C)cc(n2)C)C
• InChI: InChI=1S/C18H22N6O/c1-9(2)14(18-23-15(24-25-18)12-5-6-12)22-17-13-10(3)7-11(4)21-16(13)19-8-20-17/h7-9,12,14H,5-6H2,1-4H3,(H,19,20,21,22)
• InChIKey: CLMVTDQGBHQFDD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.491152
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 3.7138288
• LogD (pH = 7.4): 3.7230704
• Log P: 3.7231896
• Molar Refractivity: 98.4252 cm^3
• Polarizability: 35.941307 Å^3
• Polar Surface Area: 89.62 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.54
• LOG S: -2.98
• Polar Surface Area: 89.62 Å^2
• Rotatable Bonds: 5