Cas no 16097-51-1 (4-Pyrimidinamine,2-(fluoromethyl)-)
16097-51-1 structure
Product Name:4-Pyrimidinamine,2-(fluoromethyl)-
CAS No:16097-51-1
MF:C5H6FN3
MW:127.119643688202
CID:121413
PubChem ID:45080465
Update Time:2025-04-18
4-Pyrimidinamine,2-(fluoromethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 4-Pyrimidinamine,2-(fluoromethyl)-
- Pyrimidine, 4-amino-2-(fluoromethyl)- (8CI)
- 16097-51-1
- 2-(fluoromethyl)pyrimidin-4-amine
- AKOS006364796
- Pyrimidine,4-amino-2-(fluoromethyl)-(8ci)
-
- Inchi： 1S/C5H6FN3/c6-3-5-8-2-1-4(7)9-5/h1-2H,3H2,(H2,7,8,9)
- InChI Key： AUGQLIBWBMMWLX-UHFFFAOYSA-N
- SMILES： FCC1N=CC=C(N)N=1
Computed Properties
- Exact Mass: 127.05468
- Monoisotopic Mass: 127.055
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 88.3
- 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
- Topological Polar Surface Area: 51.8A^2
- XLogP3: 0
Experimental Properties
- PSA: 51.8
4-Pyrimidinamine,2-(fluoromethyl)- Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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