CAS 7542-39-4

4-Fluoro-2,5-pyrimidinediamine

Description:

4-Fluoro-2,5-pyrimidinediamine, with the CAS number 7542-39-4, is an organic compound characterized by its pyrimidine ring structure, which is a six-membered aromatic ring containing two nitrogen atoms at positions 2 and 5. The presence of a fluorine atom at position 4 contributes to its unique reactivity and potential applications in pharmaceuticals and agrochemicals. This compound typically exhibits properties such as being a solid at room temperature, with moderate solubility in polar solvents due to the presence of amino groups that can engage in hydrogen bonding. Its functional groups, specifically the amino (-NH2) groups, make it a versatile intermediate in organic synthesis, particularly in the development of biologically active molecules. Additionally, the fluorine substituent can enhance the lipophilicity and metabolic stability of derivatives formed from this compound. Safety data indicates that, like many nitrogen-containing heterocycles, it should be handled with care, as it may pose health risks if ingested or inhaled.

Formula: C₄H₅FN₄

InChI: InChI=1S/C4H5FN4/c5-3-2(6)1-8-4(7)9-3/h1H,6H2,(H2,7,8,9)

InChI key: InChIKey=MNRBDLANUUMWDK-UHFFFAOYSA-N

SMILES: FC=1C(N)=CN=C(N)N1

Synonyms:

• 2,5-Pyrimidinediamine, 4-fluoro-
• Pyrimidine, 2,5-diamino-4-fluoro-
• 4-Fluoro-2,5-pyrimidinediamine