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

• ChemBase ID: 457705
• Molecular Formular: C19H27N5O
• Molecular Mass: 341.45058
• Monoisotopic Mass: 341.22156051
• SMILES: c12c(c(cc(n1)C)C)c(ncn2)NCC1(N2CCOCC2)CCCC1
• Canonical SMILES: Cc1cc(C)c2c(n1)ncnc2NCC1(CCCC1)N1CCOCC1
• InChI: InChI=1S/C19H27N5O/c1-14-11-15(2)23-18-16(14)17(21-13-22-18)20-12-19(5-3-4-6-19)24-7-9-25-10-8-24/h11,13H,3-10,12H2,1-2H3,(H,20,21,22,23)
• InChIKey: ULFBKJRBLFAHOE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 17.901653
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 0.29135445
• LogD (pH = 7.4): 1.9455075
• Log P: 2.3230364
• Molar Refractivity: 101.7528 cm^3
• Polarizability: 38.325848 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: 1.8
• LOG S: -2.22
• Polar Surface Area: 63.17 Å^2
• Rotatable Bonds: 4