4,5-dimethylpyrimidin-2-ol

• ChemBase ID: 309199
• Molecular Formular: C6H8N2O
• Molecular Mass: 124.14052
• Monoisotopic Mass: 124.06366289
• SMILES: n1c(ncc(c1C)C)O
• Canonical SMILES: Oc1ncc(c(n1)C)C
• InChI: InChI=1S/C6H8N2O/c1-4-3-7-6(9)8-5(4)2/h3H,1-2H3,(H,7,8,9)
• InChIKey: YIJYGMPPWWXWLA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,5-dimethylpyrimidin-2-ol
• IUPAC Traditional name: 4,5-dimethylpyrimidin-2-ol
• Synonyms: 4,5-dimethyl-2-pyrimidinol

Database IDs

• CAS Number: 34939-17-8
• MDL Number: MFCD11846242

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.0697469
• LogD (pH = 7.4): 1.0697477
• Log P: 1.0697477
• Molar Refractivity: 34.2819 cm^3
• Polarizability: 12.69346 Å^3
• Polar Surface Area: 46.01 Å^2