5-{furo[3,2-c]pyridin-4-yl}-2,4-dimethoxypyrimidine

• ChemBase ID: 684971
• Molecular Formular: C13H11N3O3
• Molecular Mass: 257.24474
• Monoisotopic Mass: 257.08004123
• SMILES: c1(c(nc(nc1)OC)OC)c1c2c(occ2)ccn1
• Canonical SMILES: COc1nc(OC)ncc1c1nccc2c1cco2
• InChI: InChI=1S/C13H11N3O3/c1-17-12-9(7-15-13(16-12)18-2)11-8-4-6-19-10(8)3-5-14-11/h3-7H,1-2H3
• InChIKey: ZABYIZLDWJYBJG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{furo[3,2-c]pyridin-4-yl}-2,4-dimethoxypyrimidine
• IUPAC Traditional name: 5-{furo[3,2-c]pyridin-4-yl}-2,4-dimethoxypyrimidine
• Synonyms: 4-(2,4-dimethoxypyrimidin-5-yl)furo[3,2-c]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.9818726
• LogD (pH = 7.4): 1.9821595
• Log P: 1.9821632
• Molar Refractivity: 67.3566 cm^3
• Polarizability: 28.030931 Å^3
• Polar Surface Area: 70.27 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 2.29
• LOG S: -3.03
• Polar Surface Area: 70.27 Å^2
• Rotatable Bonds: 3