4-(2,4-dioxoimidazolidin-1-yl)-N-[(6-hydroxy-2-methylpyrimidin-4-yl)methyl]benzamide

• ChemBase ID: 817275
• Molecular Formular: C16H15N5O4
• Molecular Mass: 341.3214
• Monoisotopic Mass: 341.11240399
• SMILES: C1(=O)NC(=O)CN1c1ccc(C(=O)NCc2nc(nc(c2)O)C)cc1
• Canonical SMILES: O=C1NC(=O)N(C1)c1ccc(cc1)C(=O)NCc1cc(O)nc(n1)C
• InChI: InChI=1S/C16H15N5O4/c1-9-18-11(6-13(22)19-9)7-17-15(24)10-2-4-12(5-3-10)21-8-14(23)20-16(21)25/h2-6H,7-8H2,1H3,(H,17,24)(H,18,19,22)(H,20,23,25)
• InChIKey: CXLLODHREFMHTR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2,4-dioxoimidazolidin-1-yl)-N-[(6-hydroxy-2-methylpyrimidin-4-yl)methyl]benzamide
• IUPAC Traditional name: 4-(2,4-dioxoimidazolidin-1-yl)-N-[(6-hydroxy-2-methylpyrimidin-4-yl)methyl]benzamide
• Synonyms: 4-(2,4-dioxo-1-imidazolidinyl)-N-[(6-hydroxy-2-methyl-4-pyrimidinyl)methyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.063942
• H Acceptors: 6
• H Donor: 3
• LogD (pH = 5.5): 0.42509165
• LogD (pH = 7.4): 0.4159823
• Log P: 0.42521623
• Molar Refractivity: 87.369 cm^3
• Polarizability: 32.503853 Å^3
• Polar Surface Area: 124.52 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 3
• Log P: -1.73
• LOG S: -1.52
• Polar Surface Area: 124.52 Å^2
• Rotatable Bonds: 4