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

• ChemBase ID: 451441
• Molecular Formular: C17H25N5
• Molecular Mass: 299.4139
• Monoisotopic Mass: 299.21099583
• SMILES: c1(c2c(nc(cc2C)C)ncn1)NC1CCN(CC1)CCC
• Canonical SMILES: CCCN1CCC(CC1)Nc1ncnc2c1c(C)cc(n2)C
• InChI: InChI=1S/C17H25N5/c1-4-7-22-8-5-14(6-9-22)21-17-15-12(2)10-13(3)20-16(15)18-11-19-17/h10-11,14H,4-9H2,1-3H3,(H,18,19,20,21)
• InChIKey: YFVHGKMRUOEUTI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.128828
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.1751817
• LogD (pH = 7.4): 0.2709736
• Log P: 2.1505585
• Molar Refractivity: 93.0801 cm^3
• Polarizability: 34.688805 Å^3
• Polar Surface Area: 53.94 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.52
• LOG S: -2.53
• Polar Surface Area: 53.94 Å^2
• Rotatable Bonds: 4