The nomenclature of pyrimidines is straightforward. However, like other heterocyclics, tautomeric hydroxyl groups yield complications since they exist primarily in the cyclic amide form. 109-12-6, formula is C4H5N3, Name is Pyrimidin-2-amine. For example, 2-hydroxypyrimidine is more properly named 2-pyrimidone. A partial list of trivial names of various pyrimidines exists. Synthetic Route of 109-12-6.
Garg, Utsav;Azim, Yasser;Alam, Mahboob research published 《 In acid-aminopyrimidine continuum: experimental and computational studies of furan tetracarboxylate-2-aminopyrimidinium salt》, the research content is summarized as follows. Salts and cocrystals are the two important solid forms when a carboxylic acid crystallizes with an aminopyrimidine base such that the extent of proton transfer distinguishes between them. The ΔpKa value (pKa(base) – pKa(acid)) predicts whether the proton transfer will occur or not. However, the ΔpKa range, 0 < ΔpKa < 3, is elusive where the formation of cocrystal or salt cannot be predicted. The current study has been done to obtain a generalization in this elusive range with the Cambridge Structural Database (CSD). Based on the generalization, a novel salt (FTCA)–(2-AP)+ of furantetracarboxylic acid (FTCA) with 2-aminopyrimidine (2-AP) is obtained. The structural confirmation was done by single-crystal X-ray diffraction (SCXRD). D. functional theory (DFT) calculations were performed at the IEF-PCM-B3LYP-D3/6-311G(d,p) level to optimize the geometrical coordinates of salt for frontier MOs (FMOs) and mol. electrostatic potential (MESP). The geometrical parameters of most of the atoms of the optimized salt structure were comparable with SCXRD data. Addnl., results of other computational methods such as ab initio (Hartree-Fock; HF and second-order-Moller-Plesset perturbation; MP2) and semi-empirical were also compared with exptl. results of the salt. Quantum theory of atoms in mols. (QTAIM), reduced d. gradient (RDG), and natural bond orbital (NBO) analyses were done to calculate the strength and nature of non-covalent interactions present in the salt. Furthermore, Hirshfeld surface anal., interaction energy calculations, and total energy frameworks were performed for qual. and quant. estimations of strong and weak intermol. interactions.
109-12-6, 2-Aminopyrimidine is a useful research compound. Its molecular formula is C4H5N3 and its molecular weight is 95.1 g/mol. The purity is usually 95%.
2-Aminopyrimidine is an organic compound that belongs to the group of pyridines. It has been shown to have antimicrobial, antitumor, and antiviral properties. 2-Aminopyrimidine has been used as a fungicide and herbicide in horticulture and agriculture, respectively. The molecular geometry of this molecule is octahedral with coordination geometry C2v. This chemical binds to the BCR-ABL kinase receptor and inhibits its activity by competitive inhibition of ATP binding. 2-Aminopyrimidine has been shown to have a hematologic response in vivo models and in vitro assays. It also has anti-inflammatory effects when it is taken orally or applied topically., Synthetic Route of 109-12-6
Referemce:
Pyrimidine | C4H4N2 – PubChem,
Pyrimidine – Wikipedia