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

• ChemBase ID: 659429
• Molecular Formular: C16H23N5
• Molecular Mass: 285.38732
• Monoisotopic Mass: 285.19534576
• SMILES: c12c(c(cc(n1)C)C)c(ncn2)NCCCN1CCCC1
• Canonical SMILES: Cc1cc(C)c2c(n1)ncnc2NCCCN1CCCC1
• InChI: InChI=1S/C16H23N5/c1-12-10-13(2)20-16-14(12)15(18-11-19-16)17-6-5-9-21-7-3-4-8-21/h10-11H,3-9H2,1-2H3,(H,17,18,19,20)
• InChIKey: KRNYWTUFQZNQEW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,7-dimethyl-N-[3-(pyrrolidin-1-yl)propyl]pyrido[2,3-d]pyrimidin-4-amine
• IUPAC Traditional name: 5,7-dimethyl-N-[3-(pyrrolidin-1-yl)propyl]pyrido[2,3-d]pyrimidin-4-amine
• Synonyms: 5,7-dimethyl-N-(3-pyrrolidin-1-ylpropyl)pyrido[2,3-d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 19.084112
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.655449
• LogD (pH = 7.4): -0.34094617
• Log P: 1.7288237
• Molar Refractivity: 88.7819 cm^3
• Polarizability: 32.84446 Å^3
• Polar Surface Area: 53.94 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.95
• LOG S: -1.94
• Polar Surface Area: 53.94 Å^2
• Rotatable Bonds: 5