5,7-dimethyl-N-[2-(piperidin-1-yl)butyl]pyrido[2,3-d]pyrimidin-4-amine

• ChemBase ID: 410857
• Molecular Formular: C18H27N5
• Molecular Mass: 313.44048
• Monoisotopic Mass: 313.22664589
• SMILES: c12c(c(cc(n1)C)C)c(ncn2)NCC(N1CCCCC1)CC
• Canonical SMILES: CCC(N1CCCCC1)CNc1ncnc2c1c(C)cc(n2)C
• InChI: InChI=1S/C18H27N5/c1-4-15(23-8-6-5-7-9-23)11-19-17-16-13(2)10-14(3)22-18(16)21-12-20-17/h10,12,15H,4-9,11H2,1-3H3,(H,19,20,21,22)
• InChIKey: LYHFFPJAIRYCAC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,7-dimethyl-N-[2-(piperidin-1-yl)butyl]pyrido[2,3-d]pyrimidin-4-amine
• IUPAC Traditional name: 5,7-dimethyl-N-[2-(piperidin-1-yl)butyl]pyrido[2,3-d]pyrimidin-4-amine
• Synonyms: 5,7-dimethyl-N-(2-piperidin-1-ylbutyl)pyrido[2,3-d]pyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.090364
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.27156153
• LogD (pH = 7.4): 1.1613215
• Log P: 3.05253
• Molar Refractivity: 97.4603 cm^3
• Polarizability: 36.533466 Å^3
• Polar Surface Area: 53.94 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.07
• LOG S: -3.1
• Polar Surface Area: 53.94 Å^2
• Rotatable Bonds: 5