Prediction and evaluation of pyrimidinones derivatives: DFT analysis, corrosion inhibition, and bioactivity studies [PDF]
Results in Surfaces and InterfacesAnalyzing binary heterocyclic pyrimidinones using density functional theory (DFT) calculations and Monte Carlo (MC) simulations, as well as assessing their ADME (Absorption, Distribution, Metabolism, and Excretion) and toxicological properties is the ...
Ahmed M. Wahba +2 more
doaj +2 more sources
A Convenient and Concise Metal-Free Approach to Functionalized Bicyclic Pyrimidinones from Oxazine-2,6-diones [PDF]
Synthesis, 2018 The synthesis of previously unreported pyrazolo-pyrimidinones and isoxazolo-pyrimidinones are achieved via metal-free coupling of oxazine-2,6-diones with pyrazolidinone and isoxazolidinone, respectively. The synthesis provides easy access to a variety of
Ashwini Shirsale +6 more
semanticscholar +2 more sources
Direct Chemoselective Synthesis of N-3-Substituted Pyrimidinones in a Microwave-Assisted Method [PDF]
, 2015 Synthesis of selectively N-3-substituted pyrimidine nucleobases or pyrimidinones has always been a challenge because of poor regioselectivity and chemoselectivity.
B. Laxminarayana, L. Kundu
semanticscholar +2 more sources
Time-Efficient Synthesis of Pyrido[2,3-d]pyrimidinones via α-Oxoketenes [PDF]
, 2016 International audienceα-Oxoketene reactive intermediates generated in situ by microwave-assisted Wolff rearrangement of 2-diazo-1,3- dicarbonyl compounds have been found to react with 6-amino-pyrimidine derivatives as 1,3-C,N-bis-nucleophiles to yield ...
Juan C Castillo +3 more
semanticscholar +2 more sources
Tuning the Annulation Reactivity of Vinyl Azides and Carbazates: A Divergent Synthesis of Aza-pyrimidinones and Imidazoles. [PDF]
Organic Letters, 2015 A divergent cascade annulation has been developed using readily available vinyl azides and carbazates with a wide range of substituents. Vinyl azides were successfully applied as bifunctional partners to prepare aza-pyrimidinones via 6-ring closure with ...
Jiaan Shao +6 more
semanticscholar +4 more sources
Synthesis and Biological Evaluation of Thieno[3,2-d]- pyrimidinones, Thieno[3,2-d]pyrimidines and Quinazolinones: Conformationally Restricted 17b-Hydroxysteroid Dehydrogenase Type 2 (17b-HSD2) Inhibitors [PDF]
Molecules, 2013 In this study, a series of conformationally restricted thieno[3,2-d]pyrimidinones, thieno[3,2-d]pyrimidines and quinazolinones was designed and synthesized with the goal of improving the biological activity as 17b-hydroxysteroid dehydrogenase type 2 ...
Rolf W. Hartmann +2 more
doaj +2 more sources
Continuous-flow retro-Diels–Alder reaction: an efficient method for the preparation of pyrimidinone derivatives [PDF]
Beilstein Journal of Organic Chemistry, 2018 The syntheses of various pyrimidinones as potentially bioactive products by means of the highly controlled continuous-flow retro-Diels–Alder reaction of condensed pyrimidinone derivatives are presented.
Imane Nekkaa +3 more
doaj +2 more sources
Mesoporous molecular sieve MCM-41 catalyzed one-pot synthesis of 3,4-dihydro-2(1H)-pyrimidinones and –thiones under solvent-free conditions [PDF]
Bulletin of the Chemical Society of Ethiopia, 2011 An efficient synthesis of 3,4-dihydro-2(1H)-pyrimidinones and -thiones using MCM-41 as the catalyst from an aldehyde, β-keto ester, and urea or thiourea under solvent-free conditions is described.
Rahim Hekmatshoar +3 more
doaj +3 more sources
PharmaceuticalsBackground: Recently, pyrido[2,3-d] pyrimidine, triazolopyrimidine, thiazolopyrimidine, quinoline, and pyrazole derivatives have gained attention due to their diverse biological activities, including antimicrobial, antioxidant, antitubercular, antitumor,
Ameen Ali Abu-Hashem, Sami A. Al-Hussain
doaj +2 more sources
CoMFA and CoMSIA Studies on Inhibitors of HIV-1 Integrase - Bicyclic Pyrimidinones [PDF]
E-Journal of Chemistry, 2010 To understand the structural requirements of HIV-1 integrase inhibitors and to design new ligands against human HIV-1 integrase with enhanced inhibitory potency, a 3D QSAR (quantitative structure-activity relationship) study with comparative molecular ...
V. Radhika, S. Sree Kanth, M. Vijjulatha
doaj +2 more sources