2-(2-fluoro-5-methoxyphenyl)-4,6-dimethoxypyrimidine

• ChemBase ID: 378478
• Molecular Formular: C13H13FN2O3
• Molecular Mass: 264.2523232
• Monoisotopic Mass: 264.09102051
• SMILES: c1(c2c(ccc(c2)OC)F)nc(cc(n1)OC)OC
• Canonical SMILES: COc1ccc(c(c1)c1nc(OC)cc(n1)OC)F
• InChI: InChI=1S/C13H13FN2O3/c1-17-8-4-5-10(14)9(6-8)13-15-11(18-2)7-12(16-13)19-3/h4-7H,1-3H3
• InChIKey: MWXYASPHPZWEFI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-fluoro-5-methoxyphenyl)-4,6-dimethoxypyrimidine
• IUPAC Traditional name: 2-(2-fluoro-5-methoxyphenyl)-4,6-dimethoxypyrimidine
• Synonyms: 2-(2-fluoro-5-methoxyphenyl)-4,6-dimethoxypyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.209428
• LogD (pH = 7.4): 3.2095294
• Log P: 3.2095308
• Molar Refractivity: 78.3664 cm^3
• Polarizability: 26.082405 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: 1.9
• LOG S: -2.75
• Polar Surface Area: 53.47 Å^2
• Rotatable Bonds: 4