Cas no 196600-97-2 (4-Pyrimidinamine,5-chloro-2-fluoro-)
196600-97-2 structure
Product Name:4-Pyrimidinamine,5-chloro-2-fluoro-
CAS No:196600-97-2
MF:C4H3ClFN3
MW:147.538122415543
CID:116974
PubChem ID:590135
Update Time:2025-04-18
4-Pyrimidinamine,5-chloro-2-fluoro- Chemical and Physical Properties
Names and Identifiers
-
- 4-Pyrimidinamine,5-chloro-2-fluoro-
- 4-Pyrimidinamine, 5-chloro-2-fluoro- (9CI)
- 4-Pyrimidinamine,5-chloro-2-fluoro-(9ci)
- 5-chloro-2-fluoropyrimidin-4-amine
- GQMUSPJIDCLALP-UHFFFAOYSA-N
- SCHEMBL9682588
- 196600-97-2
- Pyrimidine, 2-fluoro-5-chloro-4-amino-
- 5-Chloro-2-fluoro-4-pyrimidinamine #
-
- Inchi: 1S/C4H3ClFN3/c5-2-1-8-4(6)9-3(2)7/h1H,(H2,7,8,9)
- InChI Key: GQMUSPJIDCLALP-UHFFFAOYSA-N
- SMILES: ClC1=CN=C(N=C1N)F
Computed Properties
- Exact Mass: 147.00000
- Monoisotopic Mass: 146.9999530g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 102
- 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: 0.9
- Topological Polar Surface Area: 51.8?2
Experimental Properties
- PSA: 51.80000
- LogP: 1.43250
4-Pyrimidinamine,5-chloro-2-fluoro- Related Literature
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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