2-methoxy-4-methylpyrimidine

• ChemBase ID: 173049
• Molecular Formular: C6H8N2O
• Molecular Mass: 124.14052
• Monoisotopic Mass: 124.06366289
• SMILES: n1c(nccc1C)OC
• Canonical SMILES: COc1nccc(n1)C
• InChI: InChI=1S/C6H8N2O/c1-5-3-4-7-6(8-5)9-2/h3-4H,1-2H3
• InChIKey: CDKZAIGAEMFLEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-4-methylpyrimidine
• IUPAC Traditional name: 2-methoxy-4-methylpyrimidine
• Synonyms: 2-Methoxy-4-methylpyrimidine; 2-Methoxy-4-methylpyrimidine

Database IDs

• CAS Number: 14001-60-6
• PubChem SID: 164228959
• PubChem CID: 5063810

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.7021098
• LogD (pH = 7.4): 0.702219
• Log P: 0.7022204
• Molar Refractivity: 33.723 cm^3
• Polarizability: 12.837849 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Dichloromethane; Ether; Ethyl Acetate; Methanol
• Apperance: Colourless Liquid
• Boiling Point: 108-11°C/70mmHg

Safety Information

• Storage Condition: Refrigerator