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4-chloro-5-(trifluoromethyl)pyrimidin-2-amine - 97%, high purity , CAS No.1201657-24-0
Discover 4-chloro-5-(trifluoromethyl)pyrimidin-2-amine by Aladdin Scientific in 97% for only $3,036.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
4-Chloro-5-(trifluoromethyl)pyrimidin-2-amine | 1201657-24-0 | 2-Pyrimidinamine, 4-chloro-5-(trifluoromethyl)- | MFCD20694893 | SCHEMBL148812 | DTXSID10620157 | BYB65724 | AKOS022176088 | SB16108 | AS-51517 | SY270260 | 2-amino-4-chloro-5-trifluoromethylpyrimidine | CS-0050923 | 2
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazines
Subclass
Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Halopyrimidines
Alternative Parents
Aminopyrimidines and derivatives Aryl chlorides Heteroaromatic compounds Azacyclic compounds Primary amines Organofluorides Organochlorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aminopyrimidine - Halopyrimidine - Aryl chloride - Aryl halide - Heteroaromatic compound - Azacycle - Alkyl fluoride - Organofluoride - Organochloride - Organohalogen compound - Organonitrogen compound - Primary amine - Hydrocarbon derivative - Organic nitrogen compound - Amine - Alkyl halide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as halopyrimidines. These are aromatic compounds containing a halogen atom linked to a pyrimidine ring. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
4-chloro-5-(trifluoromethyl)pyrimidin-2-amine
INCHI
InChI=1S/C5H3ClF3N3/c6-3-2(5(7,8)9)1-11-4(10)12-3/h1H,(H2,10,11,12)
InChIKey
UWPIJBRPRPTDTI-UHFFFAOYSA-N
Smiles
C1=C(C(=NC(=N1)N)Cl)C(F)(F)F
Isomeric SMILES
C1=C(C(=NC(=N1)N)Cl)C(F)(F)F
Molecular Weight
197.546
Reaxy-Rn
19906550
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19906550&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
197.540 g/mol
XLogP3
1.700
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
0
Exact Mass
196.997 Da
Monoisotopic Mass
196.997 Da
Topological Polar Surface Area
51.800 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
163.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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