2-(dimethylamino)-N-[2-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)ethyl]-2-(2-methylphenyl)acetamide

• ChemBase ID: 369608
• Molecular Formular: C18H24N4O2
• Molecular Mass: 328.40876
• Monoisotopic Mass: 328.18992603
• SMILES: [nH]1c(nc(cc1=O)C)CCNC(=O)C(c1c(C)cccc1)N(C)C
• Canonical SMILES: CN(C(c1ccccc1C)C(=O)NCCc1nc(C)cc(=O)[nH]1)C
• InChI: InChI=1S/C18H24N4O2/c1-12-7-5-6-8-14(12)17(22(3)4)18(24)19-10-9-15-20-13(2)11-16(23)21-15/h5-8,11,17H,9-10H2,1-4H3,(H,19,24)(H,20,21,23)
• InChIKey: VHFCHYMJCCZVRI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(dimethylamino)-N-[2-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)ethyl]-2-(2-methylphenyl)acetamide
• IUPAC Traditional name: 2-(dimethylamino)-N-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-2-(2-methylphenyl)acetamide
• Synonyms: 2-(dimethylamino)-N-[2-(4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl)ethyl]-2-(2-methylphenyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.253235
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.7330689
• LogD (pH = 7.4): 0.8576332
• Log P: 1.0469731
• Molar Refractivity: 95.4998 cm^3
• Polarizability: 36.04602 Å^3
• Polar Surface Area: 73.8 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.37
• LOG S: -2.77
• Polar Surface Area: 78.09 Å^2
• Rotatable Bonds: 6