CAS 1431-40-9

2-methylsulfanylpyrimidine-4,5,6-triamine

Description:

2-Methylsulfanylpyrimidine-4,5,6-triamine, with the CAS number 1431-40-9, is an organic compound characterized by its pyrimidine ring structure, which is a six-membered aromatic ring containing two nitrogen atoms at positions 1 and 3. This compound features a methylsulfanyl group, which introduces a sulfur atom bonded to a methyl group, enhancing its reactivity and solubility in various solvents. The presence of three amino groups at positions 4, 5, and 6 of the pyrimidine ring contributes to its basicity and potential for forming hydrogen bonds, making it a candidate for various biological and chemical applications. The compound is typically solid at room temperature and may exhibit moderate stability under standard conditions. Its unique structure allows it to participate in diverse chemical reactions, including nucleophilic substitutions and complexation with metal ions. Additionally, due to its nitrogen-rich framework, it may exhibit interesting pharmacological properties, warranting further investigation in medicinal chemistry.

Formula: C₅H₉N₅S

InChI: InChI=1/C5H9N5S/c1-11-5-9-3(7)2(6)4(8)10-5/h6H2,1H3,(H4,7,8,9,10)

SMILES: CSc1nc(c(c(=N)[nH]1)N)N

Synonyms:

• 4,5,6-Triamino-2-(Methylsulfanyl)Pyrimidine

2-(Methylsulfanyl)-4,5,6-pyrimidinetriamine

CAS: 1431-40-9

Formula: C₅H₉N₅S

Purity: 97%

Color and Shape: Solid

Molecular weight: 171.2235

Ref: IN-DA00AIQD

2-(Methylthio)pyrimidine-4,5,6-triamine

CAS: 1431-40-9

Formula: C₅H₉N₅S

Purity: 97.0%

Molecular weight: 171.22

Ref: 10-F540367

2-(Methylthio)pyrimidine-4,5,6-triamine

CAS: 1431-40-9

2-(Methylthio)pyrimidine-4,5,6-triamine is a centrosymmetric molecule with a molecular weight of 184.07 g/mol. It forms hydrogen bonds with water and interacts with other molecules. 2-(Methylthio)pyrimidine-4,5,6-triamine has been shown to form stacking interactions in crystal structures due to the presence of hydrogen bonds. Hydrogen bonds are formed between molecules when the partial positive charge on one molecule is attracted to the partial negative charge on another molecule. The attraction between these molecules can be facilitated by the presence of water molecules and is most prevalent in substances that have a high degree of hydrogen bonding potential, such as sugars and proteins.
2-(Methylthio)pyrimidine-4,5,6-triamine has also been shown to form hydrogen bonds with organic compounds such as methanol and ethanol.

Formula: C₅H₉N₅S

Purity: Min. 95%

Molecular weight: 171.22 g/mol

Ref: 3D-BAA43140