Cas no 1392237-64-7 (2-[(6-aminopyrimidin-4-yl)(methyl)amino]ethan-1-ol)
2-[(6-aminopyrimidin-4-yl)(methyl)amino]ethan-1-ol Chemical and Physical Properties
Names and Identifiers
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- 2-((6-Aminopyrimidin-4-yl)(methyl)amino)ethanol
- 2-[(6-amino-4-pyrimidinyl)methylamino]Ethanol
- 2-[(6-aminopyrimidin-4-yl)(methyl)amino]ethan-1-ol
- 2-[(6-aminopyrimidin-4-yl)-methylamino]ethanol
- 2-[(6-aminopyrimidin-4-yl)-methyl-amino]ethanol
- F8884-8306
- SCHEMBL16840930
- CS2850
- AKOS019341652
- 1392237-64-7
- SB56696
-
- MDL: MFCD23983904
- Inchi: 1S/C7H12N4O/c1-11(2-3-12)7-4-6(8)9-5-10-7/h4-5,12H,2-3H2,1H3,(H2,8,9,10)
- InChI Key: CLLYPIMBHAAFDT-UHFFFAOYSA-N
- SMILES: OCCN(C)C1C=C(N)N=CN=1
Computed Properties
- Exact Mass: 168.10111102g/mol
- Monoisotopic Mass: 168.10111102g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 133
- 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: -0.4
- Topological Polar Surface Area: 75.3?2
2-[(6-aminopyrimidin-4-yl)(methyl)amino]ethan-1-ol Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A089005251-1g |
2-((6-Aminopyrimidin-4-yl)(methyl)amino)ethanol |
1392237-64-7 | 95% | 1g |
1,036.18 USD | 2021-06-01 | |
| Matrix Scientific | 118365-1g |
2-((6-Aminopyrimidin-4-yl)(methyl)amino)ethanol |
1392237-64-7 | 1g |
$1846.00 | 2023-09-06 | ||
| Chemenu | CM164686-1g |
2-((6-Aminopyrimidin-4-yl)(methyl)amino)ethanol |
1392237-64-7 | 95% | 1g |
$1171 | 2021-08-05 | |
| TRC | A162181-100mg |
2-((6-Aminopyrimidin-4-yl)(methyl)amino)ethanol |
1392237-64-7 | 100mg |
$ 135.00 | 2022-06-08 | ||
| TRC | A162181-500mg |
2-((6-Aminopyrimidin-4-yl)(methyl)amino)ethanol |
1392237-64-7 | 500mg |
$ 525.00 | 2022-06-08 | ||
| TRC | A162181-1g |
2-((6-Aminopyrimidin-4-yl)(methyl)amino)ethanol |
1392237-64-7 | 1g |
$ 815.00 | 2022-06-08 | ||
| Ambeed | A506258-1g |
2-((6-Aminopyrimidin-4-yl)(methyl)amino)ethanol |
1392237-64-7 | 95+% | 1g |
$1317.0 | 2024-04-24 | |
| Chemenu | CM164686-1g |
2-((6-Aminopyrimidin-4-yl)(methyl)amino)ethanol |
1392237-64-7 | 95% | 1g |
$1304 | 2023-02-18 | |
| eNovation Chemicals LLC | Y0988900-1g |
2-((6-aminopyrimidin-4-yl)(methyl)amino)ethanol |
1392237-64-7 | 95% | 1g |
$1200 | 2025-02-25 | |
| eNovation Chemicals LLC | Y0988900-1g |
2-((6-aminopyrimidin-4-yl)(methyl)amino)ethanol |
1392237-64-7 | 95% | 1g |
$1200 | 2025-02-26 |
2-[(6-aminopyrimidin-4-yl)(methyl)amino]ethan-1-ol Related Literature
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
Additional information on 2-[(6-aminopyrimidin-4-yl)(methyl)amino]ethan-1-ol
Professional Introduction to Compound with CAS No. 1392237-64-7 and Product Name: 2-[(6-aminopyrimidin-4-yl)(methyl)amino]ethan-1-ol
Compound with the CAS number 1392237-64-7 and the product name 2-[(6-aminopyrimidin-4-yl)(methyl)amino]ethan-1-ol represents a significant advancement in the field of pharmaceutical chemistry. This compound, characterized by its unique molecular structure, has garnered considerable attention due to its potential applications in medicinal chemistry and drug development. The presence of a 6-aminopyrimidin-4-yl moiety and a methylamino substituent in the ethanol backbone suggests a multifaceted chemical profile that may contribute to its biological activity.
The 6-aminopyrimidin-4-yl group is a well-known pharmacophore in medicinal chemistry, frequently incorporated into therapeutic agents due to its ability to interact with biological targets such as enzymes and receptors. This moiety is particularly notable for its role in the development of antiviral, anticancer, and antimicrobial drugs. The structural features of this group facilitate hydrogen bonding and hydrophobic interactions, which are critical for binding affinity and specificity. In the context of 2-[(6-aminopyrimidin-4-yl)(methyl)amino]ethan-1-ol, the 6-aminopyrimidin-4-yl part likely contributes to the compound's interaction with nucleic acid-related targets, making it a promising candidate for further exploration.
The second key component, the methylamino substituent, adds another layer of complexity to the compound's chemical behavior. Methylamino groups are often found in bioactive molecules due to their ability to enhance solubility, improve metabolic stability, and modulate pharmacokinetic properties. In 2-[(6-aminopyrimidin-4-yl)(methyl)amino]ethan-1-ol, the methylamino group is positioned to interact with both the 6-aminopyrimidin-4-yl moiety and other biological targets, potentially influencing the compound's overall activity. This dual interaction capability makes the compound an intriguing subject for further investigation.
Recent advancements in computational chemistry have enabled more precise predictions of molecular interactions, which has significantly accelerated drug discovery processes. The structural features of 2-(6-(pyrimidinamide)methyl)amine ethanol, as derived from its chemical name, can be modeled using various computational methods to predict its binding affinity to potential targets. These models can help identify optimal analogs for further optimization, reducing the time and cost associated with traditional high-throughput screening methods.
In addition to computational approaches, experimental techniques such as X-ray crystallography and nuclear magnetic resonance (NMR) spectroscopy have been instrumental in elucidating the structure-function relationships of bioactive molecules. The detailed structural information obtained from these techniques can validate computational predictions and provide insights into how different parts of the molecule interact with biological targets. For instance, understanding how the 6-(pyrimidinamide)methyl)amine ethanol moiety adopts specific conformations in solution or within a protein binding site can guide medicinal chemists in designing more effective derivatives.
The potential applications of 2-(6-(pyrimidinamide)methyl)amine ethanol extend across multiple therapeutic areas. Its structural similarity to known bioactive compounds suggests that it may exhibit properties such as kinase inhibition or DNA intercalation. These activities are particularly relevant in oncology research, where small molecules targeting critical signaling pathways are highly sought after. Furthermore, its ability to interact with nucleic acid-related targets makes it a candidate for antiviral therapies, offering hope for novel treatments against RNA viruses.
Recent studies have highlighted the importance of polypharmacicity in drug design—where a single molecule interacts with multiple targets—potentially leading to enhanced therapeutic outcomes and reduced side effects. The dual interaction capability of 2-(6-(pyrimidinamide)methyl)amine ethanol, as suggested by its chemical structure, aligns well with this concept. By simultaneously engaging with different biological targets, this compound may produce synergistic effects that could be exploited in complex diseases such as cancer or inflammatory disorders.
The synthesis of complex molecules like 2-(6-(pyrimidinamide)methyl)amine ethanol requires sophisticated synthetic strategies that combine classical organic chemistry techniques with modern catalytic methods. Advances in catalysis have enabled more efficient and selective reactions, reducing byproduct formation and improving overall yields. For instance, transition metal-catalyzed cross-coupling reactions are frequently employed to construct carbon-carbon bonds essential for complex molecular architectures. Such methodologies ensure that researchers can access structurally diverse analogs for thorough biological evaluation.
The development of novel drug candidates is not only dependent on chemical innovation but also on robust analytical methodologies for characterization and quality control. Techniques such as high-performance liquid chromatography (HPLC), mass spectrometry (MS), and ultra-performance liquid chromatography-tandem mass spectrometry (UPLC/MS/MS) are essential for determining purity, stability, and metabolic profiles of new compounds like 2-(6-(pyrimidinamide)methyl)amine ethanol. These analytical tools provide critical data that supports decision-making throughout the drug development pipeline.
The integration of artificial intelligence (AI) into drug discovery has revolutionized how researchers identify promising candidates from vast chemical libraries. AI algorithms can analyze structural data to predict biological activity with remarkable accuracy, significantly reducing the time required for hit identification. By leveraging AI-driven platforms alongside traditional experimental approaches, researchers can accelerate their search for effective treatments using compounds like 2-(6-(pyrimidinamide)methyl)amine ethanol.
In conclusion,2-[(6-amino-pyrimidine)-4-y1( methyl ) - amino ] - ethan - 1 - ol represents a compelling example of how structural complexity can lead to novel pharmacological activities. Its unique combination of moieties—the 6-amino-pyrimidine)-4-y1(methyl)-amino) group and ethanol backbone—makes it a versatile scaffold for further exploration in medicinal chemistry. With ongoing advancements in computational methods, synthetic strategies,and analytical technologies,this compound holds significant promise for future therapeutic applications across various disease areas.
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