2-[4-methyl-6-(propan-2-yloxy)pyrimidin-2-yl]phenol

• ChemBase ID: 310662
• Molecular Formular: C14H16N2O2
• Molecular Mass: 244.28904
• Monoisotopic Mass: 244.12117776
• SMILES: c1(nc(cc(n1)C)OC(C)C)c1c(O)cccc1
• Canonical SMILES: CC(Oc1cc(C)nc(n1)c1ccccc1O)C
• InChI: InChI=1S/C14H16N2O2/c1-9(2)18-13-8-10(3)15-14(16-13)11-6-4-5-7-12(11)17/h4-9,17H,1-3H3
• InChIKey: YMNZGCSITVSXJG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-methyl-6-(propan-2-yloxy)pyrimidin-2-yl]phenol
• IUPAC Traditional name: 2-(4-isopropoxy-6-methylpyrimidin-2-yl)phenol
• Synonyms: 2-(4-isopropoxy-6-methyl-2-pyrimidinyl)phenol

Database IDs

• CAS Number: 300839-40-1
• MDL Number: MFCD00561264

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.5005145
• LogD (pH = 7.4): 3.1496942
• Log P: 3.5099092
• Molar Refractivity: 80.6499 cm^3
• Polarizability: 27.389212 Å^3
• Polar Surface Area: 55.24 Å^2