2-Amino-4-chloro-6-methylpyrimidine - ≥98% , CAS No.5600-21-5

CAS: 5600-21-5 Cat. No.: A113871 Peso molecular: 143.57 Beilstein Registry Number: 114297 Número EC: 227-018-3

GRADE & PURITY ≥98%

Synonyms

BRN 0114297 | NSC-23661 | AM (inhibitor) | AS-11855 | HMS1757D09 | MFCD00006091 | 4-chloro-6-methyl-2-pyrimidinylamine | AM20100378 | BDBM47756 | 2-Amino-6-chloro-4-methylpyrimidine | NSC 23661 | 4-chloro-6-methylpyrimidine-2-amine | AI3-08093 | DU7 | A80

Storage

Room temperature

Shipped In

Normal

Descripción general

2-Amino-4-chloro-6-methylpyrimidine is a nitification inhibitor
2-Amino-4-chloro-6-methylpyrimidine was used to study the influence of chlorine substitution in pyrimidine ring on proton donor ability of amino group in 2-aminopyrimidine

Specifications

Sinónimos

BRN 0114297 | NSC-23661 | AM (inhibitor) | AS-11855 | HMS1757D09 | MFCD00006091 | 4-chloro-6-methyl-2-pyrimidinylamine | AM20100378 | BDBM47756 | 2-Amino-6-chloro-4-methylpyrimidine | NSC 23661 | 4-chloro-6-methylpyrimidine-2-amine | AI3-08093 | DU7 | A80

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504753056
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753056
• Sonrisas canónicas: CC1=CC(=NC(=N1)N)Cl
• IUPAC Name: 4-chloro-6-methylpyrimidin-2-amine
• InChIKey: NPTGVVKPLWFPPX-UHFFFAOYSA-N
• INCHI: 1S/C5H6ClN3/c1-3-2-4(6)9-5(7)8-3/h2H,1H3,(H2,7,8,9)
• Isómeros SMILES: CC1=CC(=NC(=N1)N)Cl
• WGK Alemania: 3
• RTECS: UV6329600
• Peso molecular: 143.57
• Beilstein: 114297
• Reaxy-Rn: 114297
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=114297&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 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 Organopnictogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Halopyrimidine - Aminopyrimidine - Aryl halide - Aryl chloride - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Aromatic heteromonocyclic compound
• Descripción: 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: aminopyrimidine

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Insoluble in water.
• Punto de fusión (°C): 183-186°C
• Peso molecular: 143.570 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 143.025 Da
• Monoisotopic Mass: 143.025 Da
• Topological Polar Surface Area: 51.800 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 98.200
• 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