CAS 7391-69-7
:5-(1-Methylethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
Description:
5-(1-Methylethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione, commonly known as a derivative of pyrimidine, is a heterocyclic organic compound characterized by a six-membered ring containing nitrogen atoms. This compound features a pyrimidine core with three carbonyl groups at positions 2, 4, and 6, contributing to its trione classification. The presence of the isopropyl group at the 5-position enhances its lipophilicity and may influence its biological activity. Typically, compounds of this nature exhibit a range of properties, including potential applications in pharmaceuticals, agrochemicals, and as intermediates in organic synthesis. The molecular structure allows for various interactions, including hydrogen bonding and pi-stacking, which can affect solubility and reactivity. Additionally, the compound may exhibit tautomerism due to the keto-enol equilibrium, impacting its stability and reactivity in different environments. Overall, 5-(1-Methylethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione is of interest in both synthetic and medicinal chemistry due to its unique structural features and potential applications.
Formula:C7H10N2O3
InChI:InChI=1S/C7H10N2O3/c1-3(2)4-5(10)8-7(12)9-6(4)11/h3-4H,1-2H3,(H2,8,9,10,11,12)
InChI key:InChIKey=GFPIGNBQTXNNAG-UHFFFAOYSA-N
SMILES:C(C)(C)C1C(=O)NC(=O)NC1=O
Synonyms:- 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methylethyl)-
- 5-(1-Methylethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
- 5-(propan-2-yl)pyrimidine-2,4,6(1H,3H,5H)-trione
- Barbituric acid, 5-isopropyl-
- 5-Isopropylbarbituric acid
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