3-(2,5-dioxoimidazolidin-4-yl)-N-[2-(4-phenylpyrimidin-2-yl)ethyl]propanamide

• ChemBase ID: 497475
• Molecular Formular: C18H19N5O3
• Molecular Mass: 353.37516
• Monoisotopic Mass: 353.14878949
• SMILES: N1C(=O)NC(C1=O)CCC(=O)NCCc1nc(c2ccccc2)ccn1
• Canonical SMILES: O=C(CCC1NC(=O)NC1=O)NCCc1nccc(n1)c1ccccc1
• InChI: InChI=1S/C18H19N5O3/c24-16(7-6-14-17(25)23-18(26)22-14)20-11-9-15-19-10-8-13(21-15)12-4-2-1-3-5-12/h1-5,8,10,14H,6-7,9,11H2,(H,20,24)(H2,22,23,25,26)
• InChIKey: VCFBURJDUZETJS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2,5-dioxoimidazolidin-4-yl)-N-[2-(4-phenylpyrimidin-2-yl)ethyl]propanamide
• IUPAC Traditional name: 3-(2,5-dioxoimidazolidin-4-yl)-N-[2-(4-phenylpyrimidin-2-yl)ethyl]propanamide
• Synonyms: 3-(2,5-dioxo-4-imidazolidinyl)-N-[2-(4-phenyl-2-pyrimidinyl)ethyl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.6345215
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): 0.8195532
• LogD (pH = 7.4): 0.81713223
• Log P: 0.81963456
• Molar Refractivity: 93.3005 cm^3
• Polarizability: 37.1257 Å^3
• Polar Surface Area: 113.08 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 3
• Log P: -0.46
• LOG S: -2.69
• Polar Surface Area: 113.08 Å^2
• Rotatable Bonds: 7