1-[3-({5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl}amino)propyl]piperidin-3-ol

• ChemBase ID: 390510
• Molecular Formular: C17H25N5O
• Molecular Mass: 315.4133
• Monoisotopic Mass: 315.20591045
• SMILES: c12c(c(cc(n1)C)C)c(ncn2)NCCCN1CC(O)CCC1
• Canonical SMILES: OC1CCCN(C1)CCCNc1ncnc2c1c(C)cc(n2)C
• InChI: InChI=1S/C17H25N5O/c1-12-9-13(2)21-17-15(12)16(19-11-20-17)18-6-4-8-22-7-3-5-14(23)10-22/h9,11,14,23H,3-8,10H2,1-2H3,(H,18,19,20,21)
• InChIKey: GBXXGLXFIHPBNJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[3-({5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl}amino)propyl]piperidin-3-ol
• IUPAC Traditional name: 1-[3-({5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl}amino)propyl]piperidin-3-ol
• Synonyms: 1-{3-[(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)amino]propyl}piperidin-3-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.886479
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -2.054784
• LogD (pH = 7.4): -0.40984088
• Log P: 1.0984887
• Molar Refractivity: 94.7444 cm^3
• Polarizability: 35.298016 Å^3
• Polar Surface Area: 74.17 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 1.07
• LOG S: -1.41
• Polar Surface Area: 74.17 Å^2
• Rotatable Bonds: 5