4-(2,5-dimethoxyphenyl)-5-methylthieno[2,3-d]pyrimidine

• ChemBase ID: 470108
• Molecular Formular: C15H14N2O2S
• Molecular Mass: 286.34886
• Monoisotopic Mass: 286.0775987
• SMILES: c1(c2c(scc2C)ncn1)c1c(ccc(c1)OC)OC
• Canonical SMILES: COc1ccc(cc1c1ncnc2c1c(C)cs2)OC
• InChI: InChI=1S/C15H14N2O2S/c1-9-7-20-15-13(9)14(16-8-17-15)11-6-10(18-2)4-5-12(11)19-3/h4-8H,1-3H3
• InChIKey: LEEGERBEAIOQET-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2,5-dimethoxyphenyl)-5-methylthieno[2,3-d]pyrimidine
• IUPAC Traditional name: 4-(2,5-dimethoxyphenyl)-5-methylthieno[2,3-d]pyrimidine
• Synonyms: 4-(2,5-dimethoxyphenyl)-5-methylthieno[2,3-d]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.5243742
• LogD (pH = 7.4): 3.5243769
• Log P: 3.5243769
• Molar Refractivity: 78.7468 cm^3
• Polarizability: 31.80655 Å^3
• Polar Surface Area: 44.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.03
• LOG S: -3.87
• Polar Surface Area: 44.24 Å^2
• Rotatable Bonds: 3