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

• ChemBase ID: 460201
• Molecular Formular: C14H12N2O2S
• Molecular Mass: 272.32228
• Monoisotopic Mass: 272.06194863
• SMILES: c12c(c3c(ccc(c3)OC)OC)ncnc1scc2
• Canonical SMILES: COc1ccc(cc1c1ncnc2c1ccs2)OC
• InChI: InChI=1S/C14H12N2O2S/c1-17-9-3-4-12(18-2)11(7-9)13-10-5-6-19-14(10)16-8-15-13/h3-8H,1-2H3
• InChIKey: GWIYFXHIBAOGII-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.0109515
• LogD (pH = 7.4): 3.0109553
• Log P: 3.0109556
• Molar Refractivity: 73.7056 cm^3
• Polarizability: 30.048035 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: 2.53
• LOG S: -3.35
• Polar Surface Area: 44.24 Å^2
• Rotatable Bonds: 3