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

• ChemBase ID: 382223
• Molecular Formular: C17H20N6O
• Molecular Mass: 324.3803
• Monoisotopic Mass: 324.16985929
• SMILES: n1c(onc1CCNc1c2c(nc(cc2C)C)ncn1)C1CCC1
• Canonical SMILES: Cc1cc(C)c2c(n1)ncnc2NCCc1noc(n1)C1CCC1
• InChI: InChI=1S/C17H20N6O/c1-10-8-11(2)21-16-14(10)15(19-9-20-16)18-7-6-13-22-17(24-23-13)12-4-3-5-12/h8-9,12H,3-7H2,1-2H3,(H,18,19,20,21)
• InChIKey: BAKXIGRXFDVKAJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.673845
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 2.9245532
• LogD (pH = 7.4): 2.935463
• Log P: 2.9356039
• Molar Refractivity: 94.2361 cm^3
• Polarizability: 34.02839 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: 1.56
• LOG S: -2.9
• Polar Surface Area: 89.62 Å^2
• Rotatable Bonds: 5