N-{[4-(dimethylamino)oxan-4-yl]methyl}-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine

• ChemBase ID: 381997
• Molecular Formular: C17H25N5O
• Molecular Mass: 315.4133
• Monoisotopic Mass: 315.20591045
• SMILES: c12c(c(cc(n1)C)C)c(ncn2)NCC1(N(C)C)CCOCC1
• Canonical SMILES: Cc1cc(C)c2c(n1)ncnc2NCC1(CCOCC1)N(C)C
• InChI: InChI=1S/C17H25N5O/c1-12-9-13(2)21-16-14(12)15(19-11-20-16)18-10-17(22(3)4)5-7-23-8-6-17/h9,11H,5-8,10H2,1-4H3,(H,18,19,20,21)
• InChIKey: PVGWIRZCSJTDMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[4-(dimethylamino)oxan-4-yl]methyl}-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine
• IUPAC Traditional name: N-{[4-(dimethylamino)oxan-4-yl]methyl}-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine
• Synonyms: N-{[4-(dimethylamino)tetrahydro-2H-pyran-4-yl]methyl}-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 17.892792
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -2.1939297
• LogD (pH = 7.4): -0.79574925
• Log P: 1.1480212
• Molar Refractivity: 94.7406 cm^3
• Polarizability: 35.37094 Å^3
• Polar Surface Area: 63.17 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.08
• LOG S: -1.42
• Polar Surface Area: 63.17 Å^2
• Rotatable Bonds: 4