CAS 2417-22-3

5-Methylbarbituric acid

Description:

5-Methylbarbituric acid, with the CAS number 2417-22-3, is a derivative of barbituric acid, characterized by the presence of a methyl group at the 5-position of the barbituric acid structure. This compound is typically a white to off-white crystalline solid, soluble in water and organic solvents, which makes it useful in various chemical applications. It exhibits acidic properties due to the presence of carboxylic acid functional groups, allowing it to participate in acid-base reactions. The compound is of interest in medicinal chemistry and pharmacology, as derivatives of barbituric acid have historically been used as sedatives and anesthetics. Additionally, 5-Methylbarbituric acid can serve as a building block in the synthesis of more complex organic molecules. Its stability and reactivity can be influenced by the surrounding pH and temperature conditions. As with many barbituric acid derivatives, safety precautions should be observed when handling this compound due to potential biological activity and toxicity.

Formula: C₅H₆N₂O₃

InChI: InChI=1S/C5H6N2O3/c1-2-3(8)6-5(10)7-4(2)9/h2H,1H3,(H2,6,7,8,9,10)

InChI key: InChIKey=GOMAEJQBTWAPAN-UHFFFAOYSA-N

SMILES: CC1C(=O)NC(=O)NC1=O

Synonyms:

• 5-Methyl-2,4,6(1H,3H,5H)-pyrimidinetrione
• 5-Methyl-2,4,6-trihydroxypyrimidine
• Barbituric acid, 5-methyl-
• 5-Methylbarbituric acid
• 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-methyl-