2-({5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl}amino)-N-(propan-2-yl)acetamide

• ChemBase ID: 734481
• Molecular Formular: C14H19N5O
• Molecular Mass: 273.33356
• Monoisotopic Mass: 273.15896025
• SMILES: c12c(c(cc(n1)C)C)c(ncn2)NCC(=O)NC(C)C
• Canonical SMILES: CC(NC(=O)CNc1ncnc2c1c(C)cc(n2)C)C
• InChI: InChI=1S/C14H19N5O/c1-8(2)18-11(20)6-15-13-12-9(3)5-10(4)19-14(12)17-7-16-13/h5,7-8H,6H2,1-4H3,(H,18,20)(H,15,16,17,19)
• InChIKey: NFLXCASNFMAYCW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-({5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl}amino)-N-(propan-2-yl)acetamide
• IUPAC Traditional name: 2-({5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl}amino)-N-isopropylacetamide
• Synonyms: N~2~-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)-N~1~-isopropylglycinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.66919
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.9028018
• LogD (pH = 7.4): 0.91239786
• Log P: 0.9125216
• Molar Refractivity: 80.3273 cm^3
• Polarizability: 29.566652 Å^3
• Polar Surface Area: 79.8 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.39
• LOG S: -1.53
• Polar Surface Area: 79.8 Å^2
• Rotatable Bonds: 4