CAS 1356055-12-3

5-Iodo-N-(2,2,2-trifluoroethyl)-4-pyrimidinamine

Description:

5-Iodo-N-(2,2,2-trifluoroethyl)-4-pyrimidinamine is a chemical compound characterized by its unique structure, which includes a pyrimidine ring substituted with an iodine atom and a trifluoroethyl group. The presence of the iodine atom contributes to its potential reactivity and biological activity, while the trifluoroethyl group enhances its lipophilicity and may influence its pharmacokinetic properties. This compound is likely to exhibit polar characteristics due to the electronegative fluorine atoms, which can affect solubility and interaction with biological targets. It may be utilized in medicinal chemistry, particularly in the development of pharmaceuticals, due to its potential as a bioactive molecule. The compound's specific properties, such as melting point, boiling point, and solubility, would depend on its molecular interactions and the environment in which it is studied. As with many halogenated compounds, safety and handling precautions are essential due to potential toxicity and environmental impact.

Formula: C₆H₅F₃IN₃

InChI: InChI=1S/C6H5F3IN3/c7-6(8,9)2-12-5-4(10)1-11-3-13-5/h1,3H,2H2,(H,11,12,13)

InChI key: InChIKey=VMVFISNVTRXLIQ-UHFFFAOYSA-N

SMILES: N(CC(F)(F)F)C=1C(I)=CN=CN1

Synonyms:

• 5-Iodo-N-(2,2,2-trifluoroethyl)-4-pyrimidinamine
• (5-Iodo-pyrimidin-4-yl)-(2,2,2-trifluoro-ethyl)-amine
• 4-Pyrimidinamine, 5-iodo-N-(2,2,2-trifluoroethyl)-
• 5-Iodo-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine