6-methyl-2-(pyrazin-2-yl)pyrimidin-4-ol

• ChemBase ID: 89277
• Molecular Formular: C9H8N4O
• Molecular Mass: 188.18602
• Monoisotopic Mass: 188.0698109
• SMILES: n1c(nc(cc1C)O)c1cnccn1
• Canonical SMILES: Cc1cc(O)nc(n1)c1nccnc1
• InChI: InChI=1S/C9H8N4O/c1-6-4-8(14)13-9(12-6)7-5-10-2-3-11-7/h2-5H,1H3,(H,12,13,14)
• InChIKey: HGZRUWAFDKWIPP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-2-(pyrazin-2-yl)pyrimidin-4-ol
• IUPAC Traditional name: 6-methyl-2-(pyrazin-2-yl)pyrimidin-4-ol
• Synonyms: 4-Hydroxy-6-methyl-2-(2-pyrazinyl)pyrimidine

Database IDs

• MDL Number: MFCD00665783
• PubChem SID: 162076158
• PubChem CID: 2736573

CALCULATED PROPERTIES

• Acid pKa: 13.055815
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.86529183
• LogD (pH = 7.4): 0.8652926
• Log P: 0.86529356
• Molar Refractivity: 60.3335 cm^3
• Polarizability: 19.415245 Å^3
• Polar Surface Area: 71.79 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true