N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine

• ChemBase ID: 702532
• Molecular Formular: C17H22N6
• Molecular Mass: 310.39678
• Monoisotopic Mass: 310.19059473
• SMILES: c12c(c(cc(n1)C)C)c(ncn2)NCCCc1c([nH]nc1C)C
• Canonical SMILES: Cc1cc(C)c2c(n1)ncnc2NCCCc1c(C)n[nH]c1C
• InChI: InChI=1S/C17H22N6/c1-10-8-11(2)21-17-15(10)16(19-9-20-17)18-7-5-6-14-12(3)22-23-13(14)4/h8-9H,5-7H2,1-4H3,(H,22,23)(H,18,19,20,21)
• InChIKey: JVQASCLVYPDSJI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.40962
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 2.322395
• LogD (pH = 7.4): 2.3370514
• Log P: 2.3372405
• Molar Refractivity: 95.7536 cm^3
• Polarizability: 34.521286 Å^3
• Polar Surface Area: 79.38 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.66
• LOG S: -3.73
• Polar Surface Area: 79.38 Å^2
• Rotatable Bonds: 5