N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide

• ChemBase ID: 506676
• Molecular Formular: C14H20N4O2
• Molecular Mass: 276.3342
• Monoisotopic Mass: 276.1586259
• SMILES: N1(C(=O)CCC1)CC(=O)NCCc1nc(cc(n1)C)C
• Canonical SMILES: O=C(CN1CCCC1=O)NCCc1nc(C)cc(n1)C
• InChI: InChI=1S/C14H20N4O2/c1-10-8-11(2)17-12(16-10)5-6-15-13(19)9-18-7-3-4-14(18)20/h8H,3-7,9H2,1-2H3,(H,15,19)
• InChIKey: SLZTUFLZOUUQBU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
• IUPAC Traditional name: N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(2-oxopyrrolidin-1-yl)acetamide
• Synonyms: N-[2-(4,6-dimethyl-2-pyrimidinyl)ethyl]-2-(2-oxo-1-pyrrolidinyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.055537
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.5014595
• LogD (pH = 7.4): -0.5007065
• Log P: -0.5006969
• Molar Refractivity: 74.6281 cm^3
• Polarizability: 28.520277 Å^3
• Polar Surface Area: 75.19 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: -0.28
• LOG S: -2.0
• Polar Surface Area: 75.19 Å^2
• Rotatable Bonds: 5