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2-Chloro-N-methyl-5-(trifluoromethyl)pyrimidin-4-amine - ≥98%, high purity , CAS No.515824-43-8

COA

Grade & Purity:

≥98%

Cas Number: 515824-43-8
Molecular Weight: 211.57
PubChem CID: 21077587

In stock

Item Number

C729932

Grouped product items
SKU	Size	Availability	Price
C729932-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$260.90
C729932-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$396.90
C729932-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,040.90
C729932-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$4,241.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazines
    - Subclass Pyrimidines and pyrimidine derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazines
Subclass	Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Aminopyrimidines and derivatives
Alternative Parents	2-halopyrimidines Imidolactams Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organofluorides Organochlorides Hydrocarbon derivatives Amines Alkyl fluorides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Aminopyrimidine - 2-halopyrimidine - Halopyrimidine - Aryl chloride - Aryl halide - Imidolactam - Heteroaromatic compound - Azacycle - Alkyl fluoride - Organofluoride - Organochloride - Organohalogen compound - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Amine - Alkyl halide - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as aminopyrimidines and derivatives. These are organic compounds containing an amino group attached 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
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. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	2-chloro-N-methyl-5-(trifluoromethyl)pyrimidin-4-amine
INCHI	InChI=1S/C6H5ClF3N3/c1-11-4-3(6(8,9)10)2-12-5(7)13-4/h2H,1H3,(H,11,12,13)
InChIKey	DBZWBBJKHCGBCI-UHFFFAOYSA-N
Smiles	CNC1=NC(=NC=C1C(F)(F)F)Cl
Isomeric SMILES	CNC1=NC(=NC=C1C(F)(F)F)Cl
PubChem CID	21077587
Molecular Weight	211.57

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	211.570 g/mol
XLogP3	2.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Exact Mass	211.012 Da
Monoisotopic Mass	211.012 Da
Topological Polar Surface Area	37.800 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	175.000
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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