N-[(5-ethylpyridin-2-yl)methyl]-N-methyl-2-(6-oxo-1,6-dihydropyrimidin-5-yl)acetamide

• ChemBase ID: 652675
• Molecular Formular: C15H18N4O2
• Molecular Mass: 286.32902
• Monoisotopic Mass: 286.14297584
• SMILES: c1(c(=O)[nH]cnc1)CC(=O)N(Cc1ncc(cc1)CC)C
• Canonical SMILES: CCc1ccc(nc1)CN(C(=O)Cc1cnc[nH]c1=O)C
• InChI: InChI=1S/C15H18N4O2/c1-3-11-4-5-13(17-7-11)9-19(2)14(20)6-12-8-16-10-18-15(12)21/h4-5,7-8,10H,3,6,9H2,1-2H3,(H,16,18,21)
• InChIKey: BKSONDYCBOMLJG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(5-ethylpyridin-2-yl)methyl]-N-methyl-2-(6-oxo-1,6-dihydropyrimidin-5-yl)acetamide
• IUPAC Traditional name: N-[(5-ethylpyridin-2-yl)methyl]-N-methyl-2-(4-oxo-3H-pyrimidin-5-yl)acetamide
• Synonyms: N-[(5-ethylpyridin-2-yl)methyl]-N-methyl-2-(6-oxo-1,6-dihydropyrimidin-5-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.378003
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.09980631
• LogD (pH = 7.4): 0.14408873
• Log P: 0.14876688
• Molar Refractivity: 78.674 cm^3
• Polarizability: 29.954748 Å^3
• Polar Surface Area: 74.66 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: -0.48
• LOG S: -0.89
• Polar Surface Area: 78.95 Å^2
• Rotatable Bonds: 5