CAS 42846-91-3

5-(2-Methylpropyl)-2,4,6(1H,3H,5H)-pyrimidinetrione

Description:

5-(2-Methylpropyl)-2,4,6(1H,3H,5H)-pyrimidinetrione, identified by its CAS number 42846-91-3, is a chemical compound that belongs to the pyrimidine family, characterized by a six-membered ring containing nitrogen atoms. This compound features a trione functional group, indicating the presence of three carbonyl (C=O) groups, which significantly influences its reactivity and properties. The presence of the 2-methylpropyl substituent enhances its hydrophobic characteristics, potentially affecting its solubility in various solvents. Pyrimidinetriones are often studied for their biological activities, including potential applications in pharmaceuticals and agrochemicals. The compound may exhibit various chemical behaviors, such as tautomerism and the ability to form hydrogen bonds, which can be crucial in biological interactions. Its stability, reactivity, and potential applications can be influenced by the specific arrangement of its functional groups and the overall molecular structure. As with many organic compounds, safety data and handling precautions should be considered when working with this substance in a laboratory setting.

Formula: C₈H₁₂N₂O₃

InChI: InChI=1S/C8H12N2O3/c1-4(2)3-5-6(11)9-8(13)10-7(5)12/h4-5H,3H2,1-2H3,(H2,9,10,11,12,13)

InChI key: InChIKey=CZERPPISCPPWRA-UHFFFAOYSA-N

SMILES: C(C(C)C)C1C(=O)NC(=O)NC1=O

Synonyms:

• 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-methylpropyl)-
• 5-(2-Methylpropyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
• 5-(2-methylpropyl)pyrimidine-2,4,6(1H,3H,5H)-trione
• Barbituric acid, 5-isobutyl-
• 5-Isobutylbarbituric acid
• 5-Isobutylbarbituric acid

Barbituric Acid Impurity 4

CAS: 42846-91-3

Formula: C₈H₁₂N₂O₃

Molecular weight: 184.20

Ref: 4Z-B-211006

5-Isobutylbarbituric Acid

Controlled Product

CAS: 42846-91-3

Formula: C₈H₁₂N₂O₃

Color and Shape: Neat

Molecular weight: 184.19

Ref: TR-I780145