5-ethylpyrimidin-2-ol

• ChemBase ID: 309771
• Molecular Formular: C6H8N2O
• Molecular Mass: 124.14052
• Monoisotopic Mass: 124.06366289
• SMILES: c1(ncc(cn1)CC)O
• Canonical SMILES: CCc1cnc(nc1)O
• InChI: InChI=1S/C6H8N2O/c1-2-5-3-7-6(9)8-4-5/h3-4H,2H2,1H3,(H,7,8,9)
• InChIKey: SYFKXBRRNSJBSJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-ethylpyrimidin-2-ol
• IUPAC Traditional name: 5-ethylpyrimidin-2-ol
• Synonyms: 5-ethyl-2-pyrimidinol

Database IDs

• CAS Number: 64171-56-8
• MDL Number: MFCD11848116

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.3829461
• LogD (pH = 7.4): 1.3829461
• Log P: 1.3829463
• Molar Refractivity: 34.2914 cm^3
• Polarizability: 12.768215 Å^3
• Polar Surface Area: 46.01 Å^2