The title compound, C(23)H(18)N(2)O(6), is the product of an intra-molecular thermal cyclo-addition within 1-malein-2-[(E)-2-(2-fur-yl)vin-yl]-4-oxo-3,4-dihydro-quinazoline. The mol-ecule comprises a previously unknown fused penta-cyclic system containing two five-membered rings (2-pyrrolidinone and furan) and three six-membered rings (benzene, 2,3-dihydro-4-pyrimidinone and dihydro-cyclo-hexa-...

The title mol-ecule, C12H12N2OS, is planar, with an r.m.s. deviation of 0.04 Å. In the crystal, the N atom adjacent to the carbonyl group is sp (2)-hybridized. The crystal structure is stabilized by π-π stacking inter-actions observed between thio-phene and pyrimidinone rings of c-glide-related mol-ecules [centroid-centroid distance = 3.9554 (13) Å] and by C-H⋯π inter-actions, forming an infini...

2D 1H-15N HMBC NMR acquired at natural abundance and DMSO titration monitored by 1D 1H NMR verified the existence of an intramolecular hydrogen bond that was designed to mimic the pyrimidinone ring of a class of kinase inhibitors. A scalar coupling across the hydrogen bond was detected in organic and aqueous solvent, suggesting a simple and general approach for testing the propensity of intramo...

A series of the functionalised pillar[5]arene ureidopyrimidinone derivatives were successfully synthesised by condensation reaction mono-amido-functionalised pillar[5]arenes with 2-(1-Imidazolylcarbonylamino)-6-methyl-4-pyrimidinone in dry chloroform. 1H NMR, 2D NOESY spectra and single crystal structure clearly indicated that novel [1]rotaxanes formed insertion longer alkylene chain into cavit...

The tetra-hydro-pyrimidinone ring in the title compound, C(20)H(20)N(2)O(2), is in a half-boat conformation with the N-C-N C atom 0.580 (2) Å out of the plane defined by the remaining five atoms. In the crystal structure, mol-ecules are connected into centrosymmetric dimers via N-H⋯O inter-actions. The dimeric aggregates are linked into supra-molecular chains along the a axis via C-H⋯π inter-ac...

A short oligodeoxynucleotide (ODN) with 2-(1H)-pyrimidinone at the HhaI DNA methyltransferase target site (GCGC) is shown to induce a level of inhibition of methyl transfer and thermal stability of the complex with the enzyme identical to that achieved with a similar ODN substituted with 5-azacytosine. The drugs responsible for these effects-zebularine and 5-azacytidine/2'-deoxy-5-azacytidine-a...

In the title compound, C(23)H(21)FN(6)O, the dihedral angle between the fluoro-phenyl and pyrimidinone rings is 75.9 (1)°, and the dihedral angle between the methyl-phenyl and pyrazole rings is 40.3 (1)°. In the crystal structure, weak C-H⋯π(arene) and C-N⋯π(arene) inter-actions and intermolecular C-H⋯N and N-H⋯O hydrogen-bonding inter-actions are present.