N-[(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]-2-(2,5-dioxo-1-propylimidazolidin-4-yl)acetamide

• ChemBase ID: 634688
• Molecular Formular: C13H17N5O5
• Molecular Mass: 323.30458
• Monoisotopic Mass: 323.12296867
• SMILES: N1(C(=O)NC(C1=O)CC(=O)NCc1c(=O)[nH]c(=O)[nH]c1)CCC
• Canonical SMILES: CCCN1C(=O)NC(C1=O)CC(=O)NCc1c[nH]c(=O)[nH]c1=O
• InChI: InChI=1S/C13H17N5O5/c1-2-3-18-11(21)8(16-13(18)23)4-9(19)14-5-7-6-15-12(22)17-10(7)20/h6,8H,2-5H2,1H3,(H,14,19)(H,16,23)(H2,15,17,20,22)
• InChIKey: BRXNXGZNQBRHAL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]-2-(2,5-dioxo-1-propylimidazolidin-4-yl)acetamide
• IUPAC Traditional name: N-[(2,4-dioxo-1,3-dihydropyrimidin-5-yl)methyl]-2-(2,5-dioxo-1-propylimidazolidin-4-yl)acetamide
• Synonyms: 2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-[(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.661109
• H Acceptors: 5
• H Donor: 4
• LogD (pH = 5.5): -2.2254925
• LogD (pH = 7.4): -2.2278101
• Log P: -2.225463
• Molar Refractivity: 76.3034 cm^3
• Polarizability: 29.28323 Å^3
• Polar Surface Area: 136.71 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 4
• Log P: -1.65
• LOG S: -1.46
• Polar Surface Area: 144.23 Å^2
• Rotatable Bonds: 6