N-[2-(4,6-dimethyl-2-oxo-1,2-dihydropyrimidin-1-yl)ethyl]-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide

• ChemBase ID: 354660
• Molecular Formular: C19H23N5O3
• Molecular Mass: 369.41762
• Monoisotopic Mass: 369.18008962
• SMILES: c1(=O)n(c(cc(n1)C)C)CCNC(=O)c1cc(N2C(=O)NCC2)c(cc1)C
• Canonical SMILES: O=C1NCCN1c1cc(ccc1C)C(=O)NCCn1c(C)cc(nc1=O)C
• InChI: InChI=1S/C19H23N5O3/c1-12-4-5-15(11-16(12)24-9-7-21-18(24)26)17(25)20-6-8-23-14(3)10-13(2)22-19(23)27/h4-5,10-11H,6-9H2,1-3H3,(H,20,25)(H,21,26)
• InChIKey: TVRXXUSKDXVXKG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(4,6-dimethyl-2-oxo-1,2-dihydropyrimidin-1-yl)ethyl]-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide
• IUPAC Traditional name: N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide
• Synonyms: N-[2-(4,6-dimethyl-2-oxo-1(2H)-pyrimidinyl)ethyl]-4-methyl-3-(2-oxo-1-imidazolidinyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.813058
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.2452577
• LogD (pH = 7.4): 0.24525806
• Log P: 0.24525808
• Molar Refractivity: 102.9597 cm^3
• Polarizability: 37.794777 Å^3
• Polar Surface Area: 94.11 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: -0.63
• LOG S: -2.67
• Polar Surface Area: 96.33 Å^2
• Rotatable Bonds: 5