1-{5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl}-3-propoxypiperidine

• ChemBase ID: 858041
• Molecular Formular: C17H24N4O
• Molecular Mass: 300.39866
• Monoisotopic Mass: 300.19501141
• SMILES: c12c(N3CC(OCCC)CCC3)ncnc1nc(cc2C)C
• Canonical SMILES: CCCOC1CCCN(C1)c1ncnc2c1c(C)cc(n2)C
• InChI: InChI=1S/C17H24N4O/c1-4-8-22-14-6-5-7-21(10-14)17-15-12(2)9-13(3)20-16(15)18-11-19-17/h9,11,14H,4-8,10H2,1-3H3
• InChIKey: CEVHNGQMRRZDLQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl}-3-propoxypiperidine
• IUPAC Traditional name: 1-{5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl}-3-propoxypiperidine
• Synonyms: 5,7-dimethyl-4-(3-propoxypiperidin-1-yl)pyrido[2,3-d]pyrimidine

CALCULATED PROPERTIES

JChem

• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.1695266
• LogD (pH = 7.4): 3.1775043
• Log P: 3.177607
• Molar Refractivity: 90.1185 cm^3
• Polarizability: 33.84414 Å^3
• Polar Surface Area: 51.14 Å^2

供应商提供(Chembridge)

• Rotatable Bonds: 4
• H Acceptors: 4
• H Donor: 0
• Log P: 1.96
• LOG S: -3.06
• Polar Surface Area: 51.14 Å^2