N-{1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]ethyl}-2-(2,5-dioxoimidazolidin-1-yl)acetamide

• ChemBase ID: 749909
• Molecular Formular: C19H28N6O3
• Molecular Mass: 388.46402
• Monoisotopic Mass: 388.22228879
• SMILES: N1(C(=O)NCC1=O)CC(=O)NC(c1c(nc(nc1)N1CCCCCCC1)C)C
• Canonical SMILES: O=C(NC(c1cnc(nc1C)N1CCCCCCC1)C)CN1C(=O)CNC1=O
• InChI: InChI=1S/C19H28N6O3/c1-13(22-16(26)12-25-17(27)11-21-19(25)28)15-10-20-18(23-14(15)2)24-8-6-4-3-5-7-9-24/h10,13H,3-9,11-12H2,1-2H3,(H,21,28)(H,22,26)
• InChIKey: GWUSSUYGQRTUDH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]ethyl}-2-(2,5-dioxoimidazolidin-1-yl)acetamide
• IUPAC Traditional name: N-{1-[2-(azocan-1-yl)-4-methylpyrimidin-5-yl]ethyl}-2-(2,5-dioxoimidazolidin-1-yl)acetamide
• Synonyms: N-[1-(2-azocan-1-yl-4-methylpyrimidin-5-yl)ethyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.621001
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): 0.53471255
• LogD (pH = 7.4): 0.54327714
• Log P: 0.54341364
• Molar Refractivity: 104.7521 cm^3
• Polarizability: 39.462627 Å^3
• Polar Surface Area: 107.53 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 1.27
• LOG S: -3.12
• Polar Surface Area: 107.53 Å^2
• Rotatable Bonds: 5