1-[2-({5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl}amino)ethyl]cyclopentan-1-ol

• ChemBase ID: 594686
• Molecular Formular: C16H22N4O
• Molecular Mass: 286.37208
• Monoisotopic Mass: 286.17936134
• SMILES: c12c(c(cc(n1)C)C)c(ncn2)NCCC1(O)CCCC1
• Canonical SMILES: Cc1cc(C)c2c(n1)ncnc2NCCC1(O)CCCC1
• InChI: InChI=1S/C16H22N4O/c1-11-9-12(2)20-15-13(11)14(18-10-19-15)17-8-7-16(21)5-3-4-6-16/h9-10,21H,3-8H2,1-2H3,(H,17,18,19,20)
• InChIKey: LVHPPXXCPUUQCA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-({5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl}amino)ethyl]cyclopentan-1-ol
• IUPAC Traditional name: 1-[2-({5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl}amino)ethyl]cyclopentan-1-ol
• Synonyms: 1-{2-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]ethyl}cyclopentanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.741373
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.8816727
• LogD (pH = 7.4): 1.8926089
• Log P: 1.8927501
• Molar Refractivity: 85.8169 cm^3
• Polarizability: 31.929136 Å^3
• Polar Surface Area: 70.93 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.83
• LOG S: -2.85
• Polar Surface Area: 70.93 Å^2
• Rotatable Bonds: 4