Principles of determination of main tautomers of six-membered heteroaromatic compounds was written by Mkhitaryan, A. V.;Papoyan, R. F.;Avetisyan, A. A.. And the article was included in Hayastani Kimiakan Handes in 2006.Category: pyrimidines This article mentions the following:
The principles of determination of the main tautomers of any mono- and majority of di- and trisubstituted pyridines and diazines have been suggested in the present work. A difference in the electronegativity of the heteroatom X (X = O, NH, S) in the single, two or three XH groups contained in the aromatic form of the present compound is taken in the base of these principles. The two most stable tautomeric forms of each above mentioned heterocycle are determined without drawing in any results of its exptl. or theor. investigations. An application of the systemic approach to the investigation of the tautomerism of six-member heteroaromatic compounds permits to isolate among great number of isomeric structures of the present compounds those which may to be in the equilibrium one with another. Therefore, the potential reaction ability of the present mono-, di- and trisubstituted pyridine or diazine may be easily revealed after the determining of the whole number of such structures among which its main tautomers contain also. The trustworthiness of the principles indicated above has been confirmed by means of quantum-chem. calculations of the heats of formation for all those isomeric structures by means of which the present compound may be represented. Such calculations carried by means of PM-3 method correspond completely to the principles of determination of the main tautomers of the present compound for sufficiently great number of different mono-, di- and trisubstituted six-member heterocycles. In the experiment, the researchers used many compounds, for example, 5-Aminopyrimidin-4(3H)-one (cas: 69785-94-0Category: pyrimidines).
5-Aminopyrimidin-4(3H)-one (cas: 69785-94-0) belongs to pyrimidine derivatives. Pyrimidine also found in many synthetic compounds such as barbiturates and the HIV drug, zidovudine. We all know its importance to life – pyrimidine and purine bases are included in the structure of DNA and RNA.Category: pyrimidines
Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia