Cas no 114969-79-8 (5-Chloro-4-methylpyrimidine-2-carbonitrile)
5-Chloro-4-methylpyrimidine-2-carbonitrile is a heterocyclic organic compound featuring a pyrimidine core substituted with chloro, methyl, and cyano functional groups. This structure imparts reactivity suitable for use as a versatile intermediate in pharmaceutical and agrochemical synthesis. The chloro group enhances electrophilic substitution potential, while the cyano moiety offers opportunities for further functionalization via nucleophilic addition or cyclization. Its methyl substitution contributes to steric and electronic modulation, influencing regioselectivity in downstream reactions. The compound is particularly valuable in the development of active pharmaceutical ingredients (APIs) and specialty chemicals, where its balanced reactivity and stability enable efficient derivatization. Proper handling under inert conditions is recommended due to its sensitivity to moisture and air.
114969-79-8 structure
Product Name:5-Chloro-4-methylpyrimidine-2-carbonitrile
CAS No:114969-79-8
MF:C6H4ClN3
MW:153.569059371948
CID:1031474
PubChem ID:13860976
Update Time:2025-11-05
5-Chloro-4-methylpyrimidine-2-carbonitrile Chemical and Physical Properties
Names and Identifiers
-
- 5-Chloro-4-methylpyrimidine-2-carbonitrile
- 114969-79-8
- DTXSID00551365
- EN300-6729629
- SB56366
- 2-Pyrimidinecarbonitrile, 5-chloro-4-methyl-
- DB-332923
- Z1813124737
-
- Inchi： 1S/C6H4ClN3/c1-4-5(7)3-9-6(2-8)10-4/h3H,1H3
- InChI Key： DVEAHBJWTRUMQV-UHFFFAOYSA-N
- SMILES： ClC1=CN=C(C#N)N=C1C
Computed Properties
- Exact Mass: 153.0093748g/mol
- Monoisotopic Mass: 153.0093748g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 162
- 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: 1.3
- Topological Polar Surface Area: 49.6?2
5-Chloro-4-methylpyrimidine-2-carbonitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Chemenu | CM165431-1g |
5-chloro-4-methylpyrimidine-2-carbonitrile |
114969-79-8 | 95% | 1g |
$729 | 2021-08-05 | |
| Chemenu | CM165431-1g |
5-chloro-4-methylpyrimidine-2-carbonitrile |
114969-79-8 | 95% | 1g |
$677 | 2023-02-19 | |
| Enamine | EN300-6729629-0.05g |
5-chloro-4-methylpyrimidine-2-carbonitrile |
114969-79-8 | 95% | 0.05g |
$432.0 | 2023-05-29 | |
| Enamine | EN300-6729629-0.1g |
5-chloro-4-methylpyrimidine-2-carbonitrile |
114969-79-8 | 95% | 0.1g |
$564.0 | 2023-05-29 | |
| Enamine | EN300-6729629-0.25g |
5-chloro-4-methylpyrimidine-2-carbonitrile |
114969-79-8 | 95% | 0.25g |
$806.0 | 2023-05-29 | |
| Enamine | EN300-6729629-0.5g |
5-chloro-4-methylpyrimidine-2-carbonitrile |
114969-79-8 | 95% | 0.5g |
$1269.0 | 2023-05-29 | |
| Enamine | EN300-6729629-1.0g |
5-chloro-4-methylpyrimidine-2-carbonitrile |
114969-79-8 | 95% | 1g |
$1629.0 | 2023-05-29 | |
| Enamine | EN300-6729629-2.5g |
5-chloro-4-methylpyrimidine-2-carbonitrile |
114969-79-8 | 95% | 2.5g |
$3191.0 | 2023-05-29 | |
| Enamine | EN300-6729629-5.0g |
5-chloro-4-methylpyrimidine-2-carbonitrile |
114969-79-8 | 95% | 5g |
$4722.0 | 2023-05-29 | |
| Enamine | EN300-6729629-10.0g |
5-chloro-4-methylpyrimidine-2-carbonitrile |
114969-79-8 | 95% | 10g |
$7004.0 | 2023-05-29 |
5-Chloro-4-methylpyrimidine-2-carbonitrile Related Literature
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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2. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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