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

• ChemBase ID: 570338
• Molecular Formular: C19H27N5
• Molecular Mass: 325.45118
• Monoisotopic Mass: 325.22664589
• SMILES: c12c(c(cc(n1)C)C)c(ncn2)NCC1(N2CCCC2)CCCC1
• Canonical SMILES: Cc1cc(C)c2c(n1)ncnc2NCC1(CCCC1)N1CCCC1
• InChI: InChI=1S/C19H27N5/c1-14-11-15(2)23-18-16(14)17(21-13-22-18)20-12-19(7-3-4-8-19)24-9-5-6-10-24/h11,13H,3-10,12H2,1-2H3,(H,20,21,22,23)
• InChIKey: XWHPOZGYBQYSDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,7-dimethyl-N-{[1-(pyrrolidin-1-yl)cyclopentyl]methyl}pyrido[2,3-d]pyrimidin-4-amine
• IUPAC Traditional name: 5,7-dimethyl-N-{[1-(pyrrolidin-1-yl)cyclopentyl]methyl}pyrido[2,3-d]pyrimidin-4-amine
• Synonyms: 5,7-dimethyl-N-[(1-pyrrolidin-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): -0.4983226
• LogD (pH = 7.4): 0.52486163
• Log P: 2.9473345
• Molar Refractivity: 100.2193 cm^3
• Polarizability: 37.64373 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: 2.89
• LOG S: -3.03
• Polar Surface Area: 53.94 Å^2
• Rotatable Bonds: 4