4-(methoxymethyl)-6-(3,4,5-trimethoxyphenyl)pyrimidine

• ChemBase ID: 688868
• Molecular Formular: C15H18N2O4
• Molecular Mass: 290.31442
• Monoisotopic Mass: 290.12665707
• SMILES: c1(c(cc(c2ncnc(c2)COC)cc1OC)OC)OC
• Canonical SMILES: COCc1ncnc(c1)c1cc(OC)c(c(c1)OC)OC
• InChI: InChI=1S/C15H18N2O4/c1-18-8-11-7-12(17-9-16-11)10-5-13(19-2)15(21-4)14(6-10)20-3/h5-7,9H,8H2,1-4H3
• InChIKey: HNFRKBFFWBCWBJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(methoxymethyl)-6-(3,4,5-trimethoxyphenyl)pyrimidine
• IUPAC Traditional name: 4-(methoxymethyl)-6-(3,4,5-trimethoxyphenyl)pyrimidine
• Synonyms: 4-(methoxymethyl)-6-(3,4,5-trimethoxyphenyl)pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 1.5670348
• LogD (pH = 7.4): 1.5670458
• Log P: 1.5670459
• Molar Refractivity: 77.921 cm^3
• Polarizability: 31.413092 Å^3
• Polar Surface Area: 62.7 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 0.35
• LOG S: -1.62
• Polar Surface Area: 62.7 Å^2
• Rotatable Bonds: 6