5,7-dimethyl-N-{[1-(piperidin-1-yl)cyclopentyl]methyl}pyrido[2,3-d]pyrimidin-4-amine

• ChemBase ID: 446905
• Molecular Formular: C20H29N5
• Molecular Mass: 339.47776
• Monoisotopic Mass: 339.24229595
• SMILES: c12c(c(cc(n1)C)C)c(ncn2)NCC1(N2CCCCC2)CCCC1
• Canonical SMILES: Cc1cc(C)c2c(n1)ncnc2NCC1(CCCC1)N1CCCCC1
• InChI: InChI=1S/C20H29N5/c1-15-12-16(2)24-19-17(15)18(22-14-23-19)21-13-20(8-4-5-9-20)25-10-6-3-7-11-25/h12,14H,3-11,13H2,1-2H3,(H,21,22,23,24)
• InChIKey: KWAOVRYGQVLDDC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,7-dimethyl-N-{[1-(piperidin-1-yl)cyclopentyl]methyl}pyrido[2,3-d]pyrimidin-4-amine
• IUPAC Traditional name: 5,7-dimethyl-N-{[1-(piperidin-1-yl)cyclopentyl]methyl}pyrido[2,3-d]pyrimidin-4-amine
• Synonyms: 5,7-dimethyl-N-[(1-piperidin-1-ylcyclopentyl)methyl]pyrido[2,3-d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 17.901854
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.03618036
• LogD (pH = 7.4): 1.0863874
• Log P: 3.3919032
• Molar Refractivity: 104.8203 cm^3
• Polarizability: 39.488285 Å^3
• Polar Surface Area: 53.94 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.46
• LOG S: -3.62
• Polar Surface Area: 53.94 Å^2
• Rotatable Bonds: 4