Cas no 872890-12-5 (5-Pyrimidinecarbonitrile, 4-chloro-6-(ethylamino)-)
872890-12-5 structure
Product Name:5-Pyrimidinecarbonitrile, 4-chloro-6-(ethylamino)-
CAS No:872890-12-5
MF:C7H7ClN4
MW:182.610279321671
CID:1872172
PubChem ID:57559395
Update Time:2025-04-21
5-Pyrimidinecarbonitrile, 4-chloro-6-(ethylamino)- Chemical and Physical Properties
Names and Identifiers
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- 5-Pyrimidinecarbonitrile, 4-chloro-6-(ethylamino)-
- SCHEMBL8243683
- 4-Chloro-6-(ethylamino)pyrimidine-5-carbonitrile
- 872890-12-5
-
- Inchi： 1S/C7H7ClN4/c1-2-10-7-5(3-9)6(8)11-4-12-7/h4H,2H2,1H3,(H,10,11,12)
- InChI Key： JFCUQIVYTQOGBQ-UHFFFAOYSA-N
- SMILES： ClC1=C(C#N)C(=NC=N1)NCC
Computed Properties
- Exact Mass: 182.0359239Da
- Monoisotopic Mass: 182.0359239Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 187
- 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: 2.1
- Topological Polar Surface Area: 61.6?2
5-Pyrimidinecarbonitrile, 4-chloro-6-(ethylamino)- Related Literature
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
872890-12-5 (5-Pyrimidinecarbonitrile, 4-chloro-6-(ethylamino)-) Related Products
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