6-Phenyl-4-(4-phenyl-1-piperazinyl)thieno[2,3-d]pyrimidine , CAS No.985269

CAS: 985269 Cat. No.: P1235880 Peso molecular: 372.5

Storage

Room temperature

Shipped In

Normal

Specifications

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Nombres e identificadores

• Sonrisas canónicas: C1CN(CCN1C2=CC=CC=C2)C3=C4C=C(SC4=NC=N3)C5=CC=CC=C5
• IUPAC Name: 6-phenyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine
• InChIKey: JLSWEJIMWGSBPU-UHFFFAOYSA-N
• INCHI: 1S/C22H20N4S/c1-3-7-17(8-4-1)20-15-19-21(23-16-24-22(19)27-20)26-13-11-25(12-14-26)18-9-5-2-6-10-18/h1-10,15-16H,11-14H2
• Peso molecular: 372.5

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperazines
• Alternative Parents: N-arylpiperazines Thienopyrimidines Dialkylarylamines Aniline and substituted anilines 2,3,5-trisubstituted thiophenes Aminopyrimidines and derivatives Imidolactams Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylpiperazine - N-arylpiperazine - Thienopyrimidine - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Dialkylarylamine - 2,3,5-trisubstituted thiophene - Aminopyrimidine - Monocyclic benzene moiety - Pyrimidine - Imidolactam - Benzenoid - Heteroaromatic compound - Thiophene - Tertiary amine - Azacycle - Organic nitrogen compound - Amine - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl 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

Propiedades químicas y físicas

• Peso molecular: 372.500 g/mol
• XLogP3: 5.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 372.141 Da
• Monoisotopic Mass: 372.141 Da
• Topological Polar Surface Area: 60.500 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 469.000
• 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