5-(4-ethoxyphenyl)pyrimidine

• ChemBase ID: 780133
• Molecular Formular: C12H12N2O
• Molecular Mass: 200.23648
• Monoisotopic Mass: 200.09496301
• SMILES: c1(c2ccc(cc2)OCC)cncnc1
• Canonical SMILES: CCOc1ccc(cc1)c1cncnc1
• InChI: InChI=1S/C12H12N2O/c1-2-15-12-5-3-10(4-6-12)11-7-13-9-14-8-11/h3-9H,2H2,1H3
• InChIKey: UVXTUPWOZYEGDX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(4-ethoxyphenyl)pyrimidine
• IUPAC Traditional name: 5-(4-ethoxyphenyl)pyrimidine
• Synonyms: 5-(4-ethoxyphenyl)pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.8960723
• LogD (pH = 7.4): 1.8960972
• Log P: 1.8960975
• Molar Refractivity: 59.0703 cm^3
• Polarizability: 23.885075 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.97
• LOG S: -2.34
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 3