4,6-diiodo-2-methylpyrimidine

• ChemBase ID: 67119
• Molecular Formular: C5H4I2N2
• Molecular Mass: 345.9076
• Monoisotopic Mass: 345.84639414
• SMILES: c1(nc(cc(n1)I)I)C
• Canonical SMILES: Ic1cc(I)nc(n1)C
• InChI: InChI=1S/C5H4I2N2/c1-3-8-4(6)2-5(7)9-3/h2H,1H3
• InChIKey: PLRCTNAFIAHOAW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,6-diiodo-2-methylpyrimidine
• IUPAC Traditional name: 4,6-diiodo-2-methylpyrimidine
• Synonyms: 4,6-Diiodo-2-methylpyrimidine

Database IDs

• CAS Number: 66298-49-5
• MDL Number: MFCD11040177
• PubChem SID: 162032855
• PubChem CID: 15561305

CALCULATED PROPERTIES

• LogD (pH = 5.5): 2.9134235
• LogD (pH = 7.4): 2.913424
• Log P: 2.913424
• Molar Refractivity: 53.4879 cm^3
• Polarizability: 21.319008 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%