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

• ChemBase ID: 730005
• Molecular Formular: C17H22N6
• Molecular Mass: 310.39678
• Monoisotopic Mass: 310.19059473
• SMILES: c12c(c(cc(n1)C)C)c(ncn2)NCCCn1c(ncc1)CC
• Canonical SMILES: CCc1nccn1CCCNc1ncnc2c1c(C)cc(n2)C
• InChI: InChI=1S/C17H22N6/c1-4-14-18-7-9-23(14)8-5-6-19-16-15-12(2)10-13(3)22-17(15)21-11-20-16/h7,9-11H,4-6,8H2,1-3H3,(H,19,20,21,22)
• InChIKey: IFXMDBSKXRRENK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 19.06426
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.0293518
• LogD (pH = 7.4): 1.8367428
• Log P: 2.034909
• Molar Refractivity: 94.2299 cm^3
• Polarizability: 34.606422 Å^3
• Polar Surface Area: 68.52 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.6
• LOG S: -2.83
• Polar Surface Area: 68.52 Å^2
• Rotatable Bonds: 6