N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamide

• ChemBase ID: 726352
• Molecular Formular: C14H19N5O4
• Molecular Mass: 321.33176
• Monoisotopic Mass: 321.14370411
• SMILES: c1(n(c(=O)n(c(=O)c1)C)C)C(=O)N(Cc1nnc(o1)CC)CC
• Canonical SMILES: CCc1nnc(o1)CN(C(=O)c1cc(=O)n(c(=O)n1C)C)CC
• InChI: InChI=1S/C14H19N5O4/c1-5-10-15-16-11(23-10)8-19(6-2)13(21)9-7-12(20)18(4)14(22)17(9)3/h7H,5-6,8H2,1-4H3
• InChIKey: OTWILWOWSUEDHK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamide
• IUPAC Traditional name: N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide
• Synonyms: N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -1.1804153
• LogD (pH = 7.4): -1.180415
• Log P: -1.180415
• Molar Refractivity: 83.365 cm^3
• Polarizability: 30.287704 Å^3
• Polar Surface Area: 99.85 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 0.23
• LOG S: -3.05
• Polar Surface Area: 103.23 Å^2
• Rotatable Bonds: 5