6-(methoxymethyl)-2-methylpyrimidin-4-ol

• ChemBase ID: 41063
• Molecular Formular: C7H10N2O2
• Molecular Mass: 154.1665
• Monoisotopic Mass: 154.07422757
• SMILES: n1c(cc(nc1C)COC)O
• Canonical SMILES: COCc1cc(O)nc(n1)C
• InChI: InChI=1S/C7H10N2O2/c1-5-8-6(4-11-2)3-7(10)9-5/h3H,4H2,1-2H3,(H,8,9,10)
• InChIKey: FQJBACRSCZJCMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(methoxymethyl)-2-methylpyrimidin-4-ol
• IUPAC Traditional name: 6-(methoxymethyl)-2-methylpyrimidin-4-ol
• Synonyms: 6-(Methoxymethyl)-2-methyl-4-pyrimidinol

Database IDs

• CAS Number: 38249-50-2
• MDL Number: MFCD00087858
• PubChem SID: 162045826
• PubChem CID: 2759317

CALCULATED PROPERTIES

• Acid pKa: 11.91613
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.87280107
• LogD (pH = 7.4): 0.87279236
• Log P: 0.8728053
• Molar Refractivity: 40.686 cm^3
• Polarizability: 15.318897 Å^3
• Polar Surface Area: 55.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 178 - 181 °C; 178-181°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%