N-(cyclohex-1-en-1-ylmethyl)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamide

• ChemBase ID: 650360
• Molecular Formular: C14H19N3O3
• Molecular Mass: 277.31896
• Monoisotopic Mass: 277.14264148
• SMILES: c1(=O)n(c(=O)cc(n1C)C(=O)NCC1=CCCCC1)C
• Canonical SMILES: O=c1cc(C(=O)NCC2=CCCCC2)n(c(=O)n1C)C
• InChI: InChI=1S/C14H19N3O3/c1-16-11(8-12(18)17(2)14(16)20)13(19)15-9-10-6-4-3-5-7-10/h6,8H,3-5,7,9H2,1-2H3,(H,15,19)
• InChIKey: ZOFWMSSUPBRLJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(cyclohex-1-en-1-ylmethyl)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamide
• IUPAC Traditional name: N-(cyclohex-1-en-1-ylmethyl)-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide
• Synonyms: N-(cyclohex-1-en-1-ylmethyl)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamide

CALCULATED PROPERTIES

JChem

• Log P: 0.4230786
• Molar Refractivity: 76.3049 cm^3
• Polarizability: 28.245935 Å^3
• Polar Surface Area: 69.72 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 15.104583
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.42307836
• LogD (pH = 7.4): 0.4230786

供应商提供(Chembridge)

• Log P: 1.73
• LOG S: -2.7
• Polar Surface Area: 73.1 Å^2
• Rotatable Bonds: 3
• H Acceptors: 3
• H Donor: 1