N-{[2-(2-fluorophenoxy)pyridin-3-yl]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamide

• ChemBase ID: 829977
• Molecular Formular: C19H17FN4O4
• Molecular Mass: 384.3610832
• Monoisotopic Mass: 384.12338326
• SMILES: c1(=O)n(c(=O)cc(n1C)C(=O)NCc1c(Oc2c(F)cccc2)nccc1)C
• Canonical SMILES: Fc1ccccc1Oc1ncccc1CNC(=O)c1cc(=O)n(c(=O)n1C)C
• InChI: InChI=1S/C19H17FN4O4/c1-23-14(10-16(25)24(2)19(23)27)17(26)22-11-12-6-5-9-21-18(12)28-15-8-4-3-7-13(15)20/h3-10H,11H2,1-2H3,(H,22,26)
• InChIKey: NATSBPNEMDCQCP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[2-(2-fluorophenoxy)pyridin-3-yl]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamide
• IUPAC Traditional name: N-{[2-(2-fluorophenoxy)pyridin-3-yl]methyl}-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide
• Synonyms: N-{[2-(2-fluorophenoxy)pyridin-3-yl]methyl}-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.818868
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.3806137
• LogD (pH = 7.4): 1.3806676
• Log P: 1.3806684
• Molar Refractivity: 99.0133 cm^3
• Polarizability: 36.91789 Å^3
• Polar Surface Area: 91.84 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.35
• LOG S: -3.15
• Polar Surface Area: 95.22 Å^2
• Rotatable Bonds: 5