Cas no 872890-14-7 (5-Pyrimidinecarbonitrile, 4-chloro-6-[(2,2,2-trifluoroethyl)amino]-)
![5-Pyrimidinecarbonitrile, 4-chloro-6-[(2,2,2-trifluoroethyl)amino]- structure](https://ossimg.kuujia.com/scimg/873000/872890-14-7x500.png)
872890-14-7 structure
Product Name:5-Pyrimidinecarbonitrile, 4-chloro-6-[(2,2,2-trifluoroethyl)amino]-
CAS No:872890-14-7
MF:C7H4ClF3N4
MW:236.581669807434
CID:1882287
PubChem ID:57559670
Update Time:2025-04-21
5-Pyrimidinecarbonitrile, 4-chloro-6-[(2,2,2-trifluoroethyl)amino]- Chemical and Physical Properties
Names and Identifiers
-
- 5-Pyrimidinecarbonitrile, 4-chloro-6-[(2,2,2-trifluoroethyl)amino]-
- 872890-14-7
- SCHEMBL8244958
- 4-Chloro-6-((2,2,2-trifluoroethyl)amino)pyrimidine-5-carbonitrile
- QKQFYMVGUSXCSO-UHFFFAOYSA-N
-
- Inchi： 1S/C7H4ClF3N4/c8-5-4(1-12)6(15-3-14-5)13-2-7(9,10)11/h3H,2H2,(H,13,14,15)
- InChI Key： QKQFYMVGUSXCSO-UHFFFAOYSA-N
- SMILES： ClC1=C(C#N)C(=NC=N1)NCC(F)(F)F
Computed Properties
- Exact Mass: 236.0076583Da
- Monoisotopic Mass: 236.0076583Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 261
- 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: 2.9
- Topological Polar Surface Area: 61.6?2
5-Pyrimidinecarbonitrile, 4-chloro-6-[(2,2,2-trifluoroethyl)amino]- Related Literature
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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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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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
872890-14-7 (5-Pyrimidinecarbonitrile, 4-chloro-6-[(2,2,2-trifluoroethyl)amino]-) Related Products
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