N-cyclohexyl-1,3-dimethyl-2,6-dioxo-N-(pyridin-2-ylmethyl)-1,2,3,6-tetrahydropyrimidine-4-carboxamide

• ChemBase ID: 762535
• Molecular Formular: C19H24N4O3
• Molecular Mass: 356.41886
• Monoisotopic Mass: 356.18484065
• SMILES: c1(n(c(=O)n(c(=O)c1)C)C)C(=O)N(Cc1ncccc1)C1CCCCC1
• Canonical SMILES: O=c1cc(C(=O)N(C2CCCCC2)Cc2ccccn2)n(c(=O)n1C)C
• InChI: InChI=1S/C19H24N4O3/c1-21-16(12-17(24)22(2)19(21)26)18(25)23(15-9-4-3-5-10-15)13-14-8-6-7-11-20-14/h6-8,11-12,15H,3-5,9-10,13H2,1-2H3
• InChIKey: SWWRTPKJCJVPJQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclohexyl-1,3-dimethyl-2,6-dioxo-N-(pyridin-2-ylmethyl)-1,2,3,6-tetrahydropyrimidine-4-carboxamide
• IUPAC Traditional name: N-cyclohexyl-1,3-dimethyl-2,6-dioxo-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
• Synonyms: N-cyclohexyl-1,3-dimethyl-2,6-dioxo-N-(2-pyridinylmethyl)-1,2,3,6-tetrahydro-4-pyrimidinecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.2299793
• LogD (pH = 7.4): 1.247413
• Log P: 1.2476403
• Molar Refractivity: 97.6313 cm^3
• Polarizability: 37.163506 Å^3
• Polar Surface Area: 73.82 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.7
• LOG S: -1.95
• Polar Surface Area: 77.2 Å^2
• Rotatable Bonds: 4