On the basis of 102 assigned frequencies to in plane vibrations of pyrimidine, pyrimidine-2-d2, pyrimidine-2, 5-d2, pyrimidine-4,6-d2, pyrimidine-2,4,6-d3 and pyrimidine-d4, 35 valance force field constants including 14 principals and 21 interaction force constants are calculated. New assignments are suggested for n<su...

Abstract The inside of a cell is highly crowded with proteins and other biomolecules. How express their specific functions together many off-target in cellular environments largely unknown. Here, we investigate an inhibitor binding c-Src kinase using atomistic molecular dynamics (MD) simulations dilute as well protein solution. populations the inhibitor, 4-amino-5-(4-methylphenyl)?7-( t -butyl)...

The title pyrimidine derivative, C(18)H(21)N(3)O(6), was obtained by the reaction of methyl 2-[2-(benzyl-oxycarbon-yl)amino-propan-2-yl]-5-hy-droxy-6-oxo-1,6-dihydro-pyrimidine-4-carboxyl-ate with dimethyl sulfate in dimethyl sulfoxide. The mol-ecule has a V-shaped structure, the phenyl and the pyrimidine rings making a dihedral angle of 43.1 (1)°. The methyl group substituting the pyrimidine r...

Direct glycosylation of the sodium salt of 4,6-dichloro- or 4,6-dibromo-2-methylthiopyrrolo[2,3-d]pyrimidine with 2,3,5-tri-O-benzoyl-D-ribofuranosyl bromide gave good yield of the corresponding N7-glycosylated pyrrolo [2,3-d]pyrimidine. The intermediate 4-amino-6-chloro-2-methylthio-7-beta-D-ribofuranosylpyrrolo[2,3-d] pyrimidine provided a new synthetic route to tubercidin, via 6-chlorotuberc...

In the mol-ecule of the title compound, C(17)H(20)FN(3)O(4)S, the pyrimidine and benzene rings are oriented at a dihedral angle of 35.59 (3)°. Intra-molecular C-H⋯N and C-H⋯O hydrogen bonds result in the formation of one five- and two six-membered non-planar rings. One of the six-membered rings adopts a chair conformation, while the other six-membered ring and the five-membered ring exhibit env...

N1-Substituted-5-amino-4-cyanopyrazoles were cyanoacetylated with a mixture of cyanoacetic acid and acetic anhydride. Cyclization with POCl3 gave 4-chloro-pyrazolo[3,4-d]pyrimidine derivatives. From the reaction with hydrazine and arylhydrazines, the hydrazinyls and their oxidized forms, the azo products, were obtained. The structure of the compounds obtained has been confirmed by 1H and 13C NM...

An environmentally friendly, one-pot, three-component synthesis of 8,10-dimethyl-12-aryl-12H-naphtho[1′,2′:5,6]pyrano[2,3-d]pyrimidine-9,11-diones was achieved via coupling aromatic of aldehydes, β-naphthol and 6-amino-1,3-dimethyl uracil in the presence of formic acid as a catalyst under solvent-free conditions at 90 °C. This method has several advantages, such as efficiency, good yield, short...

Nhiều dẫn xuất của quinoline-2-on đã được các nhà hóa học hữu cơ nghiên cứu để tổng hợp và đánh giá đặc tính sinh do tác dụng khác nhau chúng, bao gồm hoạt động kháng khuẩn, chống oxy hóa, viêm, ung thư. Sự kết 4-hydroxyquinoline-2-one với 2-amino-pyrimidine hoặc 2-pyrazoline có thể hình thành mới. Trong bài báo này, giả trình bày quả một số chất 2-aminopyrimidine mới đi từ ketone α,β-không no ...

In the title compound, C(13)H(12)N(4)S, an amino N atom is connected to a 1,3-benzothia-zole fused-ring system and a dimethyl-substituted pyrimidine ring, these components being aligned [inter-planar dihedral angle = 1.9 (1)°]. The secondary amino N atom forms an inter-molecular N-H⋯N hydrogen bond to an N atom of the fused ring of an adjacent mol-ecule, generating a centrosymmetric cyclic hydr...