2-Chloro-N,N,5-trimethylpyrimidin-4-amine - Reagent grade , CAS No.34171-43-2

CAS: 34171-43-2 Cat. No.: C478978 Molecular Weight: 171.63 EC Number: 106-630-3

GRADE & PURITY Reagent Grade

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

Storage

Room temperature

Specifications

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.

Storage

Room temperature

Grade

Reagent Grade

Names and Identifiers

• Canonical Smiles: CC1=CN=C(N=C1N(C)C)Cl
• IUPAC Name: 2-chloro-N,N,5-trimethylpyrimidin-4-amine
• InChIKey: OMPXZZNLSYCISQ-UHFFFAOYSA-N
• INCHI: 1S/C7H10ClN3/c1-5-4-9-7(8)10-6(5)11(2)3/h4H,1-3H3
• 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=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Amines
        • Level5 Tertiary amines
          • Level6 Tertiary alkylarylamines
            • Level7 Dialkylarylamines

• 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.

DOI: 10.1186/s13321-016-0174-y

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