5-methoxy-2-(pyridin-2-yl)pyrimidin-4-ol

• ChemBase ID: 40455
• Molecular Formular: C10H9N3O2
• Molecular Mass: 203.19736
• Monoisotopic Mass: 203.06947654
• SMILES: n1c(ncc(c1O)OC)c1ncccc1
• Canonical SMILES: COc1cnc(nc1O)c1ccccn1
• InChI: InChI=1S/C10H9N3O2/c1-15-8-6-12-9(13-10(8)14)7-4-2-3-5-11-7/h2-6H,1H3,(H,12,13,14)
• InChIKey: MHWROIDLUXMKFP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methoxy-2-(pyridin-2-yl)pyrimidin-4-ol
• IUPAC Traditional name: 5-methoxy-2-(pyridin-2-yl)pyrimidin-4-ol
• Synonyms: 5-Methoxy-2-(2-pyridinyl)-4-pyrimidinol

Database IDs

• MDL Number: MFCD00215411
• PubChem SID: 162045218
• PubChem CID: 2763499

CALCULATED PROPERTIES

• Acid pKa: 12.344976
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.702193
• LogD (pH = 7.4): 1.7022432
• Log P: 1.7022487
• Molar Refractivity: 64.3621 cm^3
• Polarizability: 21.06018 Å^3
• Polar Surface Area: 68.13 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 130 - 133 °C; 130-133°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%