2-(2-amino-4,6-dimethylpyrimidin-5-yl)-N-[1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]acetamide

• ChemBase ID: 519544
• Molecular Formular: C19H23N5O2
• Molecular Mass: 353.41822
• Monoisotopic Mass: 353.185175
• SMILES: N1(C(=O)CC(C1)NC(=O)Cc1c(nc(nc1C)N)C)c1cc(ccc1)C
• Canonical SMILES: O=C(Cc1c(C)nc(nc1C)N)NC1CC(=O)N(C1)c1cccc(c1)C
• InChI: InChI=1S/C19H23N5O2/c1-11-5-4-6-15(7-11)24-10-14(8-18(24)26)23-17(25)9-16-12(2)21-19(20)22-13(16)3/h4-7,14H,8-10H2,1-3H3,(H,23,25)(H2,20,21,22)
• InChIKey: SMFBDFIGQWIOSN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-amino-4,6-dimethylpyrimidin-5-yl)-N-[1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]acetamide
• IUPAC Traditional name: 2-(2-amino-4,6-dimethylpyrimidin-5-yl)-N-[1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]acetamide
• Synonyms: 2-(2-amino-4,6-dimethylpyrimidin-5-yl)-N-[1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.118638
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.46067244
• LogD (pH = 7.4): 0.62919706
• Log P: 0.6318451
• Molar Refractivity: 99.4978 cm^3
• Polarizability: 37.30215 Å^3
• Polar Surface Area: 101.21 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.5
• LOG S: -2.2
• Polar Surface Area: 101.21 Å^2
• Rotatable Bonds: 4