Cas no 1159817-95-4 (4-Chloro-2-methyl-6-(pyridin-3-yl)pyrimidine)
4-Chloro-2-methyl-6-(pyridin-3-yl)pyrimidine Chemical and Physical Properties
Names and Identifiers
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- 4-chloro-2-methyl-6-(pyridin-3-yl)pyrimidine
- NE44532
- 4-Chloro-2-methyl-6-(pyridin-3-yl)pyrimidine
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- Inchi: 1S/C10H8ClN3/c1-7-13-9(5-10(11)14-7)8-3-2-4-12-6-8/h2-6H,1H3
- InChI Key: JWXDWMPUBMFQNP-UHFFFAOYSA-N
- SMILES: ClC1=CC(C2C=NC=CC=2)=NC(C)=N1
Computed Properties
- Exact Mass: 205.041
- Monoisotopic Mass: 205.041
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 188
- 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
- Topological Polar Surface Area: 38.7
4-Chloro-2-methyl-6-(pyridin-3-yl)pyrimidine Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | C251596-100mg |
4-chloro-2-methyl-6-(pyridin-3-yl)pyrimidine |
1159817-95-4 | 100mg |
$ 115.00 | 2022-04-28 | ||
| TRC | C251596-500mg |
4-chloro-2-methyl-6-(pyridin-3-yl)pyrimidine |
1159817-95-4 | 500mg |
$ 455.00 | 2022-04-28 | ||
| TRC | C251596-1g |
4-chloro-2-methyl-6-(pyridin-3-yl)pyrimidine |
1159817-95-4 | 1g |
$ 705.00 | 2022-04-28 | ||
| Enamine | EN300-63620-0.05g |
4-chloro-2-methyl-6-(pyridin-3-yl)pyrimidine |
1159817-95-4 | 90% | 0.05g |
$174.0 | 2023-07-08 | |
| Enamine | EN300-63620-0.1g |
4-chloro-2-methyl-6-(pyridin-3-yl)pyrimidine |
1159817-95-4 | 90% | 0.1g |
$257.0 | 2023-07-08 | |
| Enamine | EN300-63620-0.25g |
4-chloro-2-methyl-6-(pyridin-3-yl)pyrimidine |
1159817-95-4 | 90% | 0.25g |
$367.0 | 2023-07-08 | |
| Enamine | EN300-63620-0.5g |
4-chloro-2-methyl-6-(pyridin-3-yl)pyrimidine |
1159817-95-4 | 90% | 0.5g |
$579.0 | 2023-07-08 | |
| Enamine | EN300-63620-1.0g |
4-chloro-2-methyl-6-(pyridin-3-yl)pyrimidine |
1159817-95-4 | 90% | 1.0g |
$743.0 | 2023-07-08 | |
| Enamine | EN300-63620-2.5g |
4-chloro-2-methyl-6-(pyridin-3-yl)pyrimidine |
1159817-95-4 | 90% | 2.5g |
$1454.0 | 2023-07-08 | |
| Enamine | EN300-63620-5.0g |
4-chloro-2-methyl-6-(pyridin-3-yl)pyrimidine |
1159817-95-4 | 90% | 5.0g |
$2152.0 | 2023-07-08 |
4-Chloro-2-methyl-6-(pyridin-3-yl)pyrimidine Related Literature
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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4. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
Additional information on 4-Chloro-2-methyl-6-(pyridin-3-yl)pyrimidine
Introduction to 4-Chloro-2-methyl-6-(pyridin-3-yl)pyrimidine (CAS No. 1159817-95-4)
4-Chloro-2-methyl-6-(pyridin-3-yl)pyrimidine, identified by its Chemical Abstracts Service (CAS) number 1159817-95-4, is a significant compound in the realm of pharmaceutical and agrochemical research. This heterocyclic aromatic molecule, featuring a pyrimidine core substituted with a chloro group at the 4-position, a methyl group at the 2-position, and a pyridine moiety at the 6-position, has garnered attention due to its versatile structural framework and potential biological activities.
The structural composition of 4-Chloro-2-methyl-6-(pyridin-3-yl)pyrimidine makes it a valuable intermediate in the synthesis of various pharmacologically relevant molecules. The presence of the chloro substituent enhances its reactivity, allowing for further functionalization through nucleophilic substitution reactions. This property is particularly useful in medicinal chemistry, where such intermediates serve as building blocks for the development of novel therapeutic agents.
Recent advancements in drug discovery have highlighted the importance of pyrimidine derivatives in addressing a wide range of diseases. Pyrimidines are fundamental components of nucleic acids and play crucial roles in cellular processes. Consequently, compounds incorporating pyrimidine scaffolds have been extensively explored for their potential to interact with biological targets and modulate physiological functions.
The pyridin-3-yl substituent in 4-Chloro-2-methyl-6-(pyridin-3-yl)pyrimidine contributes to its unique electronic and steric properties, influencing its interactions with biological systems. Pyridine rings are known for their ability to form hydrogen bonds and participate in π-stacking interactions, which are critical for the binding affinity of drug candidates. The incorporation of a pyridine moiety at the 6-position of the pyrimidine ring suggests that this compound may exhibit enhanced binding to specific protein targets, making it a promising candidate for further exploration.
In the context of contemporary pharmaceutical research, 4-Chloro-2-methyl-6-(pyridin-3-yl)pyrimidine has been investigated for its potential applications in oncology, immunology, and anti-inflammatory therapies. The compound's structural features align well with known pharmacophores that are effective in modulating signaling pathways associated with these diseases. For instance, pyrimidine derivatives have been shown to inhibit kinases and other enzymes involved in cancer progression, as well as modulate immune responses in autoimmune disorders.
One of the most compelling aspects of 4-Chloro-2-methyl-6-(pyridin-3-yl)pyrimidine is its synthetic versatility. The chloro group at the 4-position allows for further derivatization via cross-coupling reactions such as Suzuki-Miyaura or Buchwald-Hartwig couplings, enabling the introduction of aryl or heteroaryl groups. Additionally, the methyl group at the 2-position can be modified through various chemical transformations, including alkylation or acylation, to fine-tune the compound's properties.
The pyridin-3-yl substituent also opens up possibilities for metal coordination studies. Transition metals such as palladium and copper can be complexed with pyridine-based ligands, leading to catalytic systems that facilitate diverse organic transformations. This aspect is particularly relevant in modern drug synthesis, where transition metal-catalyzed reactions are increasingly employed to achieve high yields and selectivity.
Recent studies have demonstrated that modifications to the pyrimidine ring can significantly alter the pharmacokinetic and pharmacodynamic profiles of drug candidates. By exploring different substituents and their spatial arrangements, researchers can optimize bioavailability, metabolic stability, and target specificity. The compound 4-Chloro-2-methyl-6-(pyridin-3-yl)pyrimidine represents an excellent starting point for such optimization efforts due to its well-defined structural features and reactivity profile.
In conclusion,4-Chloro-2-methyl-6-(pyridin-3-y l)pyrimidine (CAS No. 1159817 -95 -4 ) is a multifaceted compound with significant potential in pharmaceutical research. Its unique structural features make it a valuable intermediate for synthesizing novel therapeutic agents targeting various diseases. The presence of reactive sites such as the chloro group and the pyridine moiety allows for extensive functionalization , while recent advances in drug discovery highlight its relevance in developing next-generation drugs . As research continues , this compound is expected to play an increasingly important role in medicinal chemistry and drug development pipelines .
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