Cas no 16097-66-8 (2-Pyrimidinamine, 4-chloro-6-(fluoromethyl)-)
16097-66-8 structure
Product Name:2-Pyrimidinamine, 4-chloro-6-(fluoromethyl)-
CAS No:16097-66-8
MF:C5H5ClFN3
MW:161.564702749252
CID:3804683
PubChem ID:20153492
Update Time:2025-04-22
2-Pyrimidinamine, 4-chloro-6-(fluoromethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Pyrimidinamine, 4-chloro-6-(fluoromethyl)-
- DTXSID401268740
- 16097-66-8
- SCHEMBL10619523
- 4-Chloro-6-(fluoromethyl)-2-pyrimidinamine
-
- Inchi： 1S/C5H5ClFN3/c6-4-1-3(2-7)9-5(8)10-4/h1H,2H2,(H2,8,9,10)
- InChI Key： JIZIPEWCBBCKIW-UHFFFAOYSA-N
- SMILES： ClC1=CC(CF)=NC(N)=N1
Computed Properties
- Exact Mass: 161.0156030g/mol
- Monoisotopic Mass: 161.0156030g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 113
- 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
- Topological Polar Surface Area: 51.8?2
2-Pyrimidinamine, 4-chloro-6-(fluoromethyl)- Related Literature
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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