Kumar, Brajesh published the artcileCoupling 6-chloro-3-methyluracil with copper: structural features, theoretical analysis, and biofunctional properties, Safety of 3-Methylpyrimidine-2,4(1H,3H)-dione, the publication is Dalton Transactions (2021), 50(38), 13533-13542, database is CAplus and MEDLINE.
As nucleobases in RNA and DNA, uracil and 5-methyluracil represent a recognized class of bioactive mols. and versatile ligands for coordination compounds with various biofunctional properties. In this study, 6-chloro-3-methyluracil (Hcmu) was used as an unexplored building block for the self-assembly generation of a new bioactive copper(II) complex, [Cu(cmu)2(H2O)2]·4H2O (1). This compound was isolated as a stable crystalline solid and fully characterized in solution and solid state by a variety of spectroscopic methods (UV-vis, EPR, fluorescence spectroscopy), cyclic voltammetry, X-ray diffraction, and DFT calculations The structural, topol., H-bonding, and Hirshfeld surface features of 1 were also analyzed in detail. The compound 1 shows a distorted octahedral {CuN2O4} coordination environment with two trans cmu– ligands adopting a bidentate N,O-coordination mode. The monocopper(II) mol. units participate in strong H-bonding interactions with water mols. of crystallization, leading to structural 0D → 3D extension into a 3D H-bonded network with a tfz-d topol. Mol. docking and ADME anal. as well as antibacterial and antioxidant activity studies were performed to assess the bioactivity of 1. In particular, this compound exhibits a prominent antibacterial effect against Gram neg. (E. coli, P. aeruginosa) and pos. (S. aureus, B. cereus) bacteria. The obtained copper(II) complex also represents the first structurally characterized coordination compound derived from 6-chloro-3-methyluracil, thus introducing this bioactive building block into a family of uracil metal complexes with notable biofunctional properties.
Dalton Transactions published new progress about 608-34-4. 608-34-4 belongs to pyrimidines, auxiliary class Pyrimidine,Amide, name is 3-Methylpyrimidine-2,4(1H,3H)-dione, and the molecular formula is C5H6N2O2, Safety of 3-Methylpyrimidine-2,4(1H,3H)-dione.
Referemce:
https://pubchem.ncbi.nlm.nih.gov/compound/Pyrimidine,
Pyrimidine – Wikipedia