4-ethyl-5-methylpyrimidin-2-ol

• ChemBase ID: 308898
• Molecular Formular: C7H10N2O
• Molecular Mass: 138.1671
• Monoisotopic Mass: 138.07931295
• SMILES: n1c(ncc(c1CC)C)O
• Canonical SMILES: CCc1nc(O)ncc1C
• InChI: InChI=1S/C7H10N2O/c1-3-6-5(2)4-8-7(10)9-6/h4H,3H2,1-2H3,(H,8,9,10)
• InChIKey: MFLKSHVKRZWJRO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethyl-5-methylpyrimidin-2-ol
• IUPAC Traditional name: 4-ethyl-5-methylpyrimidin-2-ol
• Synonyms: 4-ethyl-5-methyl-2-pyrimidinol

Database IDs

• CAS Number: 1215295-84-3
• MDL Number: MFCD18917004

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.7702829
• LogD (pH = 7.4): 1.7702835
• Log P: 1.7702836
• Molar Refractivity: 38.9088 cm^3
• Polarizability: 14.5274725 Å^3
• Polar Surface Area: 46.01 Å^2