6-(2-methoxyphenyl)pyrimidin-4-ol

• ChemBase ID: 114314
• Molecular Formular: C11H10N2O2
• Molecular Mass: 202.2093
• Monoisotopic Mass: 202.07422757
• SMILES: c1(cc(ncn1)O)c1c(OC)cccc1
• Canonical SMILES: COc1ccccc1c1ncnc(c1)O
• InChI: InChI=1S/C11H10N2O2/c1-15-10-5-3-2-4-8(10)9-6-11(14)13-7-12-9/h2-7H,1H3,(H,12,13,14)
• InChIKey: FBIIBEODPZRTLJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(2-methoxyphenyl)pyrimidin-4-ol
• IUPAC Traditional name: 6-(2-methoxyphenyl)pyrimidin-4-ol
• Synonyms: 6-(2-methoxyphenyl)pyrimidin-4-ol

Database IDs

• MDL Number: MFCD16652723
• PubChem SID: 162100571
• PubChem CID: 33676372

CALCULATED PROPERTIES

• Acid pKa: 12.1712265
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.216031
• LogD (pH = 7.4): 2.2160249
• Log P: 2.216032
• Molar Refractivity: 56.2441 cm^3
• Polarizability: 22.61881 Å^3
• Polar Surface Area: 55.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.539

Product Information

• Purity: 95+%