4-Amino-2-chloropyrimidine-5-carbonitrile - ≥97% , CAS No.94741-69-2

CAS: 94741-69-2 Cat. No.: A123179 Peso molecular: 154.56 Número EC: 625-430-1

GRADE & PURITY ≥97%

Synonyms

Kinome_3477 | AMY11530 | BP-10695 | 4-amino-2-chloro-5-cyanopyrimidine | DTXSID60384217 | EN300-132392 | WDHFCSOENXEMRC-UHFFFAOYSA-N | 4-amino-2-chloropyrimidine -5-carbonitrile | 4-amino-2-chloropyrimidin-5-carbonitrile | 5Y-5028 | SB16100 | 2-chloro-4-a

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Kinome_3477 | AMY11530 | BP-10695 | 4-amino-2-chloro-5-cyanopyrimidine | DTXSID60384217 | EN300-132392 | WDHFCSOENXEMRC-UHFFFAOYSA-N | 4-amino-2-chloropyrimidine -5-carbonitrile | 4-amino-2-chloropyrimidin-5-carbonitrile | 5Y-5028 | SB16100 | 2-chloro-4-a

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488194047
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488194047
• Sonrisas canónicas: C1=C(C(=NC(=N1)Cl)N)C#N
• IUPAC Name: 4-amino-2-chloropyrimidine-5-carbonitrile
• InChIKey: WDHFCSOENXEMRC-UHFFFAOYSA-N
• INCHI: 1S/C5H3ClN4/c6-5-9-2-3(1-7)4(8)10-5/h2H,(H2,8,9,10)
• Isómeros SMILES: C1=C(C(=NC(=N1)Cl)N)C#N
• WGK Alemania: 3
• Peso molecular: 154.56
• Reaxy-Rn: 4670817
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4670817&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: Aminopyrimidines and derivatives
• Alternative Parents: 2-halopyrimidines Imidolactams Aryl chlorides Heteroaromatic compounds Nitriles Azacyclic compounds Primary amines Organopnictogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aminopyrimidine - 2-halopyrimidine - Halopyrimidine - Aryl chloride - Aryl halide - Imidolactam - Heteroaromatic compound - Azacycle - Carbonitrile - Nitrile - Organohalogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organopnictogen compound - Organochloride - Organonitrogen compound - Primary amine - Aromatic heteromonocyclic compound
• Descripción: 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

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

Objetivos asociados (humanos)

CSNK1A1 Tchem Casein kinase I alpha (2581 Activities)

Discover Target: CSNK1A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Punto de fusión (°C): 243-245°C
• Peso molecular: 154.560 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 154.005 Da
• Monoisotopic Mass: 154.005 Da
• Topological Polar Surface Area: 75.600 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 162.000
• 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