Cas no 141602-26-8 (4(1H)-Pyrimidinone, 5-bromo-6-ethyl-)
4(1H)-Pyrimidinone, 5-bromo-6-ethyl- Chemical and Physical Properties
Names and Identifiers
-
- 4(1H)-Pyrimidinone, 5-bromo-6-ethyl-
- 5-bromo-6-ethylpyrimidin-4-ol
- 4-hydroxy-5-bromo-6-ethylpyrimidine
- SB58828
- 141602-26-8
- SCHEMBL8176802
- AKOS015659111
- F13817
- WGVMEMBSMKNUDN-UHFFFAOYSA-N
-
- Inchi: 1S/C6H7BrN2O/c1-2-4-5(7)6(10)9-3-8-4/h3H,2H2,1H3,(H,8,9,10)
- InChI Key: WGVMEMBSMKNUDN-UHFFFAOYSA-N
- SMILES: C1=NC(CC)=C(Br)C(=O)N1
Computed Properties
- Exact Mass: 201.97418Da
- Monoisotopic Mass: 201.97418Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 220
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1
- Topological Polar Surface Area: 41.5?2
4(1H)-Pyrimidinone, 5-bromo-6-ethyl- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Chemenu | CM503096-1g |
5-Bromo-6-ethylpyrimidin-4-ol |
141602-26-8 | 97% | 1g |
$473 | 2023-02-02 |
4(1H)-Pyrimidinone, 5-bromo-6-ethyl- Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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5. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
Additional information on 4(1H)-Pyrimidinone, 5-bromo-6-ethyl-
Introduction to 4(1H)-Pyrimidinone, 5-bromo-6-ethyl- (CAS No. 141602-26-8)
4(1H)-Pyrimidinone, 5-bromo-6-ethyl- (CAS No. 141602-26-8) is a significant compound in the field of pharmaceutical chemistry, exhibiting a unique structural framework that has garnered considerable attention for its potential applications in drug discovery and medicinal chemistry. This heterocyclic compound belongs to the pyrimidinone class, which is well-documented for its role in synthesizing biologically active molecules. The presence of both bromo and ethyl substituents on the pyrimidinone core imparts distinct chemical properties, making it a valuable intermediate in the development of novel therapeutic agents.
The molecular structure of 4(1H)-Pyrimidinone, 5-bromo-6-ethyl- consists of a six-membered aromatic ring containing two nitrogen atoms, with bromine and ethyl groups attached at the 5th and 6th positions, respectively. This specific arrangement enhances its reactivity and compatibility with various functional groups, facilitating diverse chemical modifications. Such structural features are particularly appealing in medicinal chemistry due to their ability to interact with biological targets in a predictable manner.
In recent years, there has been growing interest in pyrimidinone derivatives as scaffolds for developing small-molecule drugs. These compounds have shown promise in various therapeutic areas, including oncology, antiviral, and anti-inflammatory applications. The bromine substituent at the 5-position serves as a versatile handle for further functionalization via cross-coupling reactions, such as Suzuki-Miyaura or Buchwald-Hartwig couplings, which are widely employed in constructing complex drug molecules. Additionally, the ethyl group at the 6-position can be modified through oxidation or reduction reactions to introduce additional pharmacophoric elements.
One of the most compelling aspects of 4(1H)-Pyrimidinone, 5-bromo-6-ethyl- is its potential as a precursor in the synthesis of kinase inhibitors. Kinases are enzymes that play crucial roles in cell signaling pathways and are frequently targeted in anticancer therapies. By leveraging the reactivity of the bromo and ethyl groups, researchers can design analogs that disrupt aberrant signaling cascades associated with diseases such as cancer. Preliminary studies have demonstrated that derivatives of this compound exhibit inhibitory activity against certain kinases, warranting further investigation into their mechanism of action and therapeutic efficacy.
The pharmaceutical industry has increasingly recognized the importance of heterocyclic compounds in drug development due to their favorable pharmacokinetic properties and biological activity. Pyrimidinones, in particular, have been extensively studied for their role as key building blocks in medicinal chemistry. The structural motif is present in several FDA-approved drugs, underscoring its significance in therapeutic applications. 4(1H)-Pyrimidinone, 5-bromo-6-ethyl-, with its strategic substitution pattern, aligns well with this trend and offers a promising platform for future drug discovery efforts.
Recent advancements in computational chemistry have further enhanced the utility of 4(1H)-Pyrimidinone, 5-bromo-6-ethyl- by enabling rapid virtual screening and molecular docking studies. These techniques allow researchers to predict how different analogs might interact with biological targets, thereby accelerating the drug development process. By integrating experimental data with computational models, scientists can optimize the structure of this compound to improve its potency and selectivity. Such interdisciplinary approaches are essential for translating promising chemical entities into viable therapeutic candidates.
The synthesis of 4(1H)-Pyrimidinone, 5-bromo-6-ethyl- can be achieved through multiple routes, each offering distinct advantages depending on scalability and purity requirements. Common methodologies involve condensation reactions between appropriate precursors followed by functional group transformations to introduce the bromo and ethyl substituents. Modern synthetic strategies often emphasize green chemistry principles to minimize waste and improve atom economy. These sustainable practices are increasingly important as pharmaceutical manufacturers strive to meet regulatory standards while reducing environmental impact.
In conclusion,4(1H)-Pyrimidinone, 5-bromo-6-ethyl- (CAS No. 141602-26-8) represents a compelling compound with significant potential in pharmaceutical research and development. Its unique structural features make it an attractive scaffold for designing novel therapeutics targeting various diseases. As our understanding of biological pathways continues to expand, compounds like this will play an integral role in shaping the next generation of medicines.
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