2-methyl-4-(2,4,6-trimethylphenyl)pyrimidine

• ChemBase ID: 527536
• Molecular Formular: C14H16N2
• Molecular Mass: 212.29024
• Monoisotopic Mass: 212.13134852
• SMILES: c1(nc(ncc1)C)c1c(cc(cc1C)C)C
• Canonical SMILES: Cc1cc(C)c(c(c1)C)c1ccnc(n1)C
• InChI: InChI=1S/C14H16N2/c1-9-7-10(2)14(11(3)8-9)13-5-6-15-12(4)16-13/h5-8H,1-4H3
• InChIKey: ABRICGKHCAKXPR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-4-(2,4,6-trimethylphenyl)pyrimidine
• IUPAC Traditional name: 2-methyl-4-(2,4,6-trimethylphenyl)pyrimidine
• Synonyms: 4-mesityl-2-methylpyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.095837
• LogD (pH = 7.4): 4.098181
• Log P: 4.098211
• Molar Refractivity: 67.2345 cm^3
• Polarizability: 26.63336 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.18
• LOG S: -3.47
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1