5,7-dimethyl-N-[3-(propan-2-yloxy)propyl]pyrido[2,3-d]pyrimidin-4-amine

• ChemBase ID: 623027
• Molecular Formular: C15H22N4O
• Molecular Mass: 274.36138
• Monoisotopic Mass: 274.17936134
• SMILES: c12c(c(cc(n1)C)C)c(ncn2)NCCCOC(C)C
• Canonical SMILES: CC(OCCCNc1ncnc2c1c(C)cc(n2)C)C
• InChI: InChI=1S/C15H22N4O/c1-10(2)20-7-5-6-16-14-13-11(3)8-12(4)19-15(13)18-9-17-14/h8-10H,5-7H2,1-4H3,(H,16,17,18,19)
• InChIKey: CMRVMRBSZHQWMJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,7-dimethyl-N-[3-(propan-2-yloxy)propyl]pyrido[2,3-d]pyrimidin-4-amine
• IUPAC Traditional name: N-(3-isopropoxypropyl)-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine
• Synonyms: N-(3-isopropoxypropyl)-5,7-dimethylpyrido[2,3-d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 19.017988
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.0197084
• LogD (pH = 7.4): 2.0306478
• Log P: 2.0307891
• Molar Refractivity: 83.4327 cm^3
• Polarizability: 30.889496 Å^3
• Polar Surface Area: 59.93 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: 1.99
• LOG S: -2.9
• Polar Surface Area: 59.93 Å^2
• Rotatable Bonds: 6