5-(2-fluoro-5-methoxyphenyl)-2,4-dimethoxypyrimidine

• ChemBase ID: 368017
• Molecular Formular: C13H13FN2O3
• Molecular Mass: 264.2523232
• Monoisotopic Mass: 264.09102051
• SMILES: c1(c(nc(nc1)OC)OC)c1c(ccc(c1)OC)F
• Canonical SMILES: COc1ccc(c(c1)c1cnc(nc1OC)OC)F
• InChI: InChI=1S/C13H13FN2O3/c1-17-8-4-5-11(14)9(6-8)10-7-15-13(19-3)16-12(10)18-2/h4-7H,1-3H3
• InChIKey: AYPCTORNHRPNLD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2-fluoro-5-methoxyphenyl)-2,4-dimethoxypyrimidine
• IUPAC Traditional name: 5-(2-fluoro-5-methoxyphenyl)-2,4-dimethoxypyrimidine
• Synonyms: 5-(2-fluoro-5-methoxyphenyl)-2,4-dimethoxypyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.6397784
• LogD (pH = 7.4): 2.6398911
• Log P: 2.6398926
• Molar Refractivity: 67.724 cm^3
• Polarizability: 26.736147 Å^3
• Polar Surface Area: 53.47 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.12
• LOG S: -3.79
• Polar Surface Area: 53.47 Å^2
• Rotatable Bonds: 4