2-Chloro-6-phenylpyrimidin-4-amine - ≥95% , CAS No.54994-35-3

CAS: 54994-35-3 Cat. No.: C193883 Summenformel: C₁₀H₈ClN₃ Molekulargewicht: 205.64

GRADE & PURITY ≥95%

Synonyms

AKOS015924552 | MFCD16249541 | A870303 | DTXSID30704387 | DS-17818 | 4-Amino-2-chloro-6-phenylpyrimidine | 2-chloro-6-phenylpyrimidin-4-amine | SB60740 | SCHEMBL3232571 | C75576

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

AKOS015924552 | MFCD16249541 | A870303 | DTXSID30704387 | DS-17818 | 4-Amino-2-chloro-6-phenylpyrimidine | 2-chloro-6-phenylpyrimidin-4-amine | SB60740 | SCHEMBL3232571 | C75576

Spezifikationen & Reinheit

≥95%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

Kanonisches Lächeln

C1=CC=C(C=C1)C2=CC(=NC(=N2)Cl)N

IUPAC Name

2-chloro-6-phenylpyrimidin-4-amine

InChIKey

WEUHZJARRPBHRH-UHFFFAOYSA-N

INCHI

1S/C10H8ClN3/c11-10-13-8(6-9(12)14-10)7-4-2-1-3-5-7/h1-6H,(H2,12,13,14)

Isomere SMILES

C1=CC=C(C=C1)C2=CC(=NC(=N2)Cl)N

Molekulargewicht

205.64

Reaxy-Rn

37373150

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=37373150&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrimidines
• Alternative Parents: Aminopyrimidines and derivatives 2-halopyrimidines Imidolactams Benzene and substituted derivatives Aryl chlorides Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 4-phenylpyrimidine - Aminopyrimidine - Halopyrimidine - 2-halopyrimidine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Imidolactam - Heteroaromatic compound - Azacycle - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Organopnictogen compound - Primary amine - Amine - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond. 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 205.640 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 205.041 Da
• Monoisotopic Mass: 205.041 Da
• Topological Polar Surface Area: 51.800 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 182.000
• 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