5-(2-ethoxypyridin-3-yl)pyrimidine

• ChemBase ID: 663752
• Molecular Formular: C11H11N3O
• Molecular Mass: 201.22454
• Monoisotopic Mass: 201.09021199
• SMILES: c1(c(c2cncnc2)cccn1)OCC
• Canonical SMILES: CCOc1ncccc1c1cncnc1
• InChI: InChI=1S/C11H11N3O/c1-2-15-11-10(4-3-5-14-11)9-6-12-8-13-7-9/h3-8H,2H2,1H3
• InChIKey: WRBZRMWLXHRTRZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2-ethoxypyridin-3-yl)pyrimidine
• IUPAC Traditional name: 5-(2-ethoxypyridin-3-yl)pyrimidine
• Synonyms: 5-(2-ethoxypyridin-3-yl)pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.2724396
• LogD (pH = 7.4): 1.272877
• Log P: 1.2728826
• Molar Refractivity: 57.2269 cm^3
• Polarizability: 22.970802 Å^3
• Polar Surface Area: 47.9 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: 1.21
• LOG S: -1.7
• Polar Surface Area: 47.9 Å^2
• Rotatable Bonds: 3