N-methyl-2-(2-oxo-1,2-dihydropyrimidin-1-yl)-N-[(1,2,2-trimethylpyrrolidin-3-yl)methyl]acetamide

• ChemBase ID: 859072
• Molecular Formular: C15H24N4O2
• Molecular Mass: 292.37666
• Monoisotopic Mass: 292.18992603
• SMILES: c1(=O)n(CC(=O)N(CC2C(N(CC2)C)(C)C)C)cccn1
• Canonical SMILES: O=C(N(CC1CCN(C1(C)C)C)C)Cn1cccnc1=O
• InChI: InChI=1S/C15H24N4O2/c1-15(2)12(6-9-18(15)4)10-17(3)13(20)11-19-8-5-7-16-14(19)21/h5,7-8,12H,6,9-11H2,1-4H3
• InChIKey: SWALKCZFDFDLCE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2-(2-oxo-1,2-dihydropyrimidin-1-yl)-N-[(1,2,2-trimethylpyrrolidin-3-yl)methyl]acetamide
• IUPAC Traditional name: N-methyl-2-(2-oxopyrimidin-1-yl)-N-[(1,2,2-trimethylpyrrolidin-3-yl)methyl]acetamide
• Synonyms: N-methyl-2-(2-oxopyrimidin-1(2H)-yl)-N-[(1,2,2-trimethylpyrrolidin-3-yl)methyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.267843
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -3.9254162
• LogD (pH = 7.4): -2.6987367
• Log P: -0.5227909
• Molar Refractivity: 82.302 cm^3
• Polarizability: 31.341373 Å^3
• Polar Surface Area: 56.22 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -0.09
• LOG S: -2.57
• Polar Surface Area: 58.44 Å^2
• Rotatable Bonds: 4