2-(diphenylmethyl)-4,6-dimethoxypyrimidine

• ChemBase ID: 88468
• Molecular Formular: C19H18N2O2
• Molecular Mass: 306.35842
• Monoisotopic Mass: 306.13682783
• SMILES: n1c(cc(nc1C(c1ccccc1)c1ccccc1)OC)OC
• Canonical SMILES: COc1cc(OC)nc(n1)C(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C19H18N2O2/c1-22-16-13-17(23-2)21-19(20-16)18(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-13,18H,1-2H3
• InChIKey: YYKORXFIRGQXRT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(diphenylmethyl)-4,6-dimethoxypyrimidine
• IUPAC Traditional name: 2-(diphenylmethyl)-4,6-dimethoxypyrimidine
• Synonyms: 2,2-Diphenylmethyl-4,6-dimethoxypyrimidine

Database IDs

• MDL Number: MFCD01567891
• PubChem SID: 162075416
• PubChem CID: 4144042

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.9150677
• LogD (pH = 7.4): 4.915229
• Log P: 4.9152308
• Molar Refractivity: 90.2915 cm^3
• Polarizability: 34.527412 Å^3
• Polar Surface Area: 44.24 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 66-68°C