CAS 1073-99-0

4,5,6-Triamino-2(1H)-pyrimidinethione

Description:

4,5,6-Triamino-2(1H)-pyrimidinethione, with the CAS number 1073-99-0, is a heterocyclic organic compound characterized by its pyrimidine ring structure, which contains three amino groups and a thione functional group. This compound is typically a white to off-white solid and is soluble in water due to the presence of the amino groups, which can engage in hydrogen bonding. The presence of the thione group imparts unique chemical reactivity, allowing it to participate in various chemical reactions, including nucleophilic substitutions and complexation with metal ions. It is often studied for its potential applications in pharmaceuticals and biochemistry, particularly in the synthesis of biologically active compounds. Additionally, its structural features may contribute to its role in biological systems, possibly influencing enzyme activity or serving as a building block for more complex molecules. As with many nitrogen-containing heterocycles, it may exhibit interesting properties such as antimicrobial or antitumor activity, making it a subject of interest in medicinal chemistry.

Formula: C₄H₇N₅S

InChI: InChI=1S/C4H7N5S/c5-1-2(6)8-4(10)9-3(1)7/h5H2,(H5,6,7,8,9,10)

InChI key: InChIKey=FLMUXLUXSRKQID-UHFFFAOYSA-N

SMILES: NC1=C(N)NC(=S)N=C1N

Synonyms:

• 4,5,6-Triamino-2-pyrimidinethiol
• 2(1H)-Pyrimidinethione, 4,5,6-triamino-
• 4,5,6-Triamino-2-mercaptopyrimidine
• 2-Pyrimidinethiol, 4,5,6-triamino-
• 4,5,6-Triamino-2(1H)-pyrimidinethione