4,6-dimethyl-2-(propan-2-yl)pyrimidin-5-ol

• ChemBase ID: 312650
• Molecular Formular: C9H14N2O
• Molecular Mass: 166.22026
• Monoisotopic Mass: 166.11061308
• SMILES: c1(nc(c(c(n1)C)O)C)C(C)C
• Canonical SMILES: CC(c1nc(C)c(c(n1)C)O)C
• InChI: InChI=1S/C9H14N2O/c1-5(2)9-10-6(3)8(12)7(4)11-9/h5,12H,1-4H3
• InChIKey: NMACYEIIDPIVJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,6-dimethyl-2-(propan-2-yl)pyrimidin-5-ol
• IUPAC Traditional name: 2-isopropyl-4,6-dimethylpyrimidin-5-ol
• Synonyms: 2-isopropyl-4,6-dimethyl-5-pyrimidinol

Database IDs

• CAS Number: 88070-33-1
• MDL Number: MFCD00466670

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.8389575
• LogD (pH = 7.4): 1.8606062
• Log P: 1.8623593
• Molar Refractivity: 47.712 cm^3
• Polarizability: 18.121754 Å^3
• Polar Surface Area: 46.01 Å^2