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2-Chloro-N,N,5-trimethylpyrimidin-4-amine - Reagent Grade, high purity , CAS No.34171-43-2
Basic Description
Synonyms
2-Chloro-N,N,5-trimethylpyrimidin-4-amine, AldrichCPR | DTXSID50187774 | MFCD01689696 | Pyrimidine, 2-chloro-4-(dimethylamino)-5-methyl- | 2-chloro-4-dimethylamino-5-methyl pyrimidine | AM100684 | 2-Chloro-N,N,5-trimethyl-4-pyrimidinamine | CHEMBRDG-BB 40
Specifications & Purity
Reagent grade
Legal Information
Product of ChemBridge Corp.
Grade
Reagent Grade
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic nitrogen compounds
Class
Organonitrogen compounds
Subclass
Amines
Intermediate Tree Nodes
Tertiary amines - Tertiary alkylarylamines
Direct Parent
Dialkylarylamines
Alternative Parents
Aminopyrimidines and derivatives 2-halopyrimidines Imidolactams Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Dialkylarylamine - Aminopyrimidine - 2-halopyrimidine - Halopyrimidine - Aryl chloride - Aryl halide - Pyrimidine - Imidolactam - Heteroaromatic compound - Organoheterocyclic compound - Azacycle - Organopnictogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as dialkylarylamines. These are aliphatic aromatic amines in which the amino group is linked to two aliphatic chains and one aromatic group.
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
2-chloro-N,N,5-trimethylpyrimidin-4-amine
INCHI
InChI=1S/C7H10ClN3/c1-5-4-9-7(8)10-6(5)11(2)3/h4H,1-3H3
InChIKey
OMPXZZNLSYCISQ-UHFFFAOYSA-N
Smiles
CC1=CN=C(N=C1N(C)C)Cl
Isomeric SMILES
CC1=CN=C(N=C1N(C)C)Cl
WGK Germany
3
Molecular Weight
171.63
Reaxy-Rn
608293
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=608293&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
171.630 g/mol
XLogP3
2.000
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
171.056 Da
Monoisotopic Mass
171.056 Da
Topological Polar Surface Area
29.000 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
129.000
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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