2-iodo-4,6-dimethylpyrimidine

• ChemBase ID: 22556
• Molecular Formular: C6H7IN2
• Molecular Mass: 234.03765
• Monoisotopic Mass: 233.96539623
• SMILES: c1(nc(cc(n1)C)C)I
• Canonical SMILES: Cc1cc(C)nc(n1)I
• InChI: InChI=1S/C6H7IN2/c1-4-3-5(2)9-6(7)8-4/h3H,1-2H3
• InChIKey: HYQMOIDHGGDJMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-iodo-4,6-dimethylpyrimidine
• IUPAC Traditional name: 2-iodo-4,6-dimethylpyrimidine
• Synonyms: 4,6-Dimethyl-2-iodopyrimidine

Database IDs

• CAS Number: 16879-40-6
• MDL Number: MFCD09909561
• PubChem SID: 160985863
• PubChem CID: 11436236

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.3583301
• LogD (pH = 7.4): 1.3583363
• Log P: 1.3583364
• Molar Refractivity: 44.6084 cm^3
• Polarizability: 17.488556 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false