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

• ChemBase ID: 781536
• Molecular Formular: C17H17N5O3
• Molecular Mass: 339.34858
• Monoisotopic Mass: 339.13313943
• SMILES: N1C(=O)NC(C1=O)CC(=O)NCCc1nc(c2ccccc2)ccn1
• Canonical SMILES: O=C(CC1NC(=O)NC1=O)NCCc1nccc(n1)c1ccccc1
• InChI: InChI=1S/C17H17N5O3/c23-15(10-13-16(24)22-17(25)21-13)19-9-7-14-18-8-6-12(20-14)11-4-2-1-3-5-11/h1-6,8,13H,7,9-10H2,(H,19,23)(H2,21,22,24,25)
• InChIKey: MIUIWWVCHUSGCO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,5-dioxoimidazolidin-4-yl)-N-[2-(4-phenylpyrimidin-2-yl)ethyl]acetamide
• IUPAC Traditional name: 2-(2,5-dioxoimidazolidin-4-yl)-N-[2-(4-phenylpyrimidin-2-yl)ethyl]acetamide
• Synonyms: 2-(2,5-dioxoimidazolidin-4-yl)-N-[2-(4-phenylpyrimidin-2-yl)ethyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.62487
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): 0.545253
• LogD (pH = 7.4): 0.54277664
• Log P: 0.545335
• Molar Refractivity: 88.5455 cm^3
• Polarizability: 35.28817 Å^3
• Polar Surface Area: 113.08 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 3
• Log P: -0.64
• LOG S: -2.44
• Polar Surface Area: 113.08 Å^2
• Rotatable Bonds: 6