Cas no 188937-10-2 (5-Pyrimidinamine, 2-chloro-4-(trifluoromethyl)-)
188937-10-2 structure
Product Name:5-Pyrimidinamine, 2-chloro-4-(trifluoromethyl)-
CAS No:188937-10-2
MF:C5H3ClF3N3
MW:197.545629739761
CID:3843841
PubChem ID:21220631
Update Time:2025-04-22
5-Pyrimidinamine, 2-chloro-4-(trifluoromethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 5-Pyrimidinamine, 2-chloro-4-(trifluoromethyl)-
- SCHEMBL8518490
- 2-Chloro-4-(trifluoromethyl)pyrimidin-5-amine
- 188937-10-2
-
- Inchi： 1S/C5H3ClF3N3/c6-4-11-1-2(10)3(12-4)5(7,8)9/h1H,10H2
- InChI Key： VSDKNTOXBKITRL-UHFFFAOYSA-N
- SMILES： C1(Cl)=NC=C(N)C(C(F)(F)F)=N1
Computed Properties
- Exact Mass: 196.9967593Da
- Monoisotopic Mass: 196.9967593Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 163
- 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: 1.4
- Topological Polar Surface Area: 51.8?2
5-Pyrimidinamine, 2-chloro-4-(trifluoromethyl)- Related Literature
-
Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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