5-(2,6-dimethylphenyl)-2,4-dimethoxypyrimidine

• ChemBase ID: 602890
• Molecular Formular: C14H16N2O2
• Molecular Mass: 244.28904
• Monoisotopic Mass: 244.12117776
• SMILES: n1c(c(c2c(cccc2C)C)cnc1OC)OC
• Canonical SMILES: COc1nc(OC)ncc1c1c(C)cccc1C
• InChI: InChI=1S/C14H16N2O2/c1-9-6-5-7-10(2)12(9)11-8-15-14(18-4)16-13(11)17-3/h5-8H,1-4H3
• InChIKey: OJGPHPBFGAHNLL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2,6-dimethylphenyl)-2,4-dimethoxypyrimidine
• IUPAC Traditional name: 5-(2,6-dimethylphenyl)-2,4-dimethoxypyrimidine
• Synonyms: 5-(2,6-dimethylphenyl)-2,4-dimethoxypyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.6815362
• LogD (pH = 7.4): 3.6817026
• Log P: 3.6817045
• Molar Refractivity: 71.1268 cm^3
• Polarizability: 28.074446 Å^3
• Polar Surface Area: 44.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.3
• LOG S: -3.8
• Polar Surface Area: 44.24 Å^2
• Rotatable Bonds: 3