N-[2-(4,5-dimethyl-1H-imidazol-1-yl)ethyl]-2-(2,4-dimethyl-6-oxo-1,6-dihydropyrimidin-5-yl)acetamide

• ChemBase ID: 830123
• Molecular Formular: C15H21N5O2
• Molecular Mass: 303.35954
• Monoisotopic Mass: 303.16952494
• SMILES: c1(c(=O)[nH]c(nc1C)C)CC(=O)NCCn1c(c(nc1)C)C
• Canonical SMILES: O=C(Cc1c(C)nc([nH]c1=O)C)NCCn1cnc(c1C)C
• InChI: InChI=1S/C15H21N5O2/c1-9-11(3)20(8-17-9)6-5-16-14(21)7-13-10(2)18-12(4)19-15(13)22/h8H,5-7H2,1-4H3,(H,16,21)(H,18,19,22)
• InChIKey: ZOEKHFIAWSPIFG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(4,5-dimethyl-1H-imidazol-1-yl)ethyl]-2-(2,4-dimethyl-6-oxo-1,6-dihydropyrimidin-5-yl)acetamide
• IUPAC Traditional name: 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]acetamide
• Synonyms: N-[2-(4,5-dimethyl-1H-imidazol-1-yl)ethyl]-2-(2,4-dimethyl-6-oxo-1,6-dihydropyrimidin-5-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.220697
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.0952468
• LogD (pH = 7.4): -1.3036193
• Log P: -1.132542
• Molar Refractivity: 84.1929 cm^3
• Polarizability: 31.295868 Å^3
• Polar Surface Area: 88.38 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.08
• LOG S: -2.65
• Polar Surface Area: 92.67 Å^2
• Rotatable Bonds: 5