4-hydrazinyl-5-iodo-2,6-dimethylpyrimidine

• ChemBase ID: 42623
• Molecular Formular: C6H9IN4
• Molecular Mass: 264.06693
• Monoisotopic Mass: 263.98719431
• SMILES: c1(nc(nc(c1I)C)C)NN
• Canonical SMILES: NNc1nc(C)nc(c1I)C
• InChI: InChI=1S/C6H9IN4/c1-3-5(7)6(11-8)10-4(2)9-3/h8H2,1-2H3,(H,9,10,11)
• InChIKey: VKMKHUMQFXRXOA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-hydrazinyl-5-iodo-2,6-dimethylpyrimidine
• IUPAC Traditional name: 4-hydrazinyl-5-iodo-2,6-dimethylpyrimidine
• Synonyms: 4-Hydrazino-5-iodo-2,6-dimethylpyrimidine

Database IDs

• MDL Number: MFCD02082016
• PubChem SID: 162047386
• PubChem CID: 2764518

CALCULATED PROPERTIES

• Acid pKa: 18.178331
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.9832961
• LogD (pH = 7.4): 1.5890709
• Log P: 1.606541
• Molar Refractivity: 55.3209 cm^3
• Polarizability: 19.945854 Å^3
• Polar Surface Area: 63.83 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 157 - 159 °C; 157-159°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%