4-(4-fluoro-2-methoxyphenyl)-6-(methoxymethyl)pyrimidine

• ChemBase ID: 550306
• Molecular Formular: C13H13FN2O2
• Molecular Mass: 248.2529232
• Monoisotopic Mass: 248.09610589
• SMILES: c1(c2ncnc(c2)COC)c(cc(cc1)F)OC
• Canonical SMILES: COCc1ncnc(c1)c1ccc(cc1OC)F
• InChI: InChI=1S/C13H13FN2O2/c1-17-7-10-6-12(16-8-15-10)11-4-3-9(14)5-13(11)18-2/h3-6,8H,7H2,1-2H3
• InChIKey: MTSYBTVJPZDPJU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-fluoro-2-methoxyphenyl)-6-(methoxymethyl)pyrimidine
• IUPAC Traditional name: 4-(4-fluoro-2-methoxyphenyl)-6-(methoxymethyl)pyrimidine
• Synonyms: 4-(4-fluoro-2-methoxyphenyl)-6-(methoxymethyl)pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.025086
• LogD (pH = 7.4): 2.0250905
• Log P: 2.0250905
• Molar Refractivity: 65.211 cm^3
• Polarizability: 26.032427 Å^3
• Polar Surface Area: 44.24 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: 0.96
• LOG S: -1.83
• Polar Surface Area: 44.24 Å^2
• Rotatable Bonds: 4