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

• ChemBase ID: 372397
• Molecular Formular: C19H29N5
• Molecular Mass: 327.46706
• Monoisotopic Mass: 327.24229595
• SMILES: c12c(c(cc(n1)C)C)c(ncn2)NCCC1N(C(C)C)CCCC1
• Canonical SMILES: CC(N1CCCCC1CCNc1ncnc2c1c(C)cc(n2)C)C
• InChI: InChI=1S/C19H29N5/c1-13(2)24-10-6-5-7-16(24)8-9-20-18-17-14(3)11-15(4)23-19(17)22-12-21-18/h11-13,16H,5-10H2,1-4H3,(H,20,21,22,23)
• InChIKey: UQHIUKOXBMXYLZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 19.065634
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.45117828
• LogD (pH = 7.4): 0.5368954
• Log P: 3.0065422
• Molar Refractivity: 102.2205 cm^3
• Polarizability: 38.378338 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: 3.21
• LOG S: -3.32
• Polar Surface Area: 53.94 Å^2
• Rotatable Bonds: 5