4-chloro-5H-pyrrolo[3,2-d]pyrimidine - ≥97% , CAS No.84905-80-6

CAS: 84905-80-6 Cat. No.: C177622 Peso molecular: 153.57 Número EC: 632-937-1

GRADE & PURITY ≥97%

Synonyms

PB34131 | 4-chloropyrrolo[3,2-d]pyrimidine | SS-3037 | 4-Chloro-5H-pyrrolo(3,2-d)pyrimidine | 5H-PYRROLO[3,2-D]PYRIMIDINE, 4-CHLORO- | BDBM50591485 | J-515053 | SCHEMBL1374153 | MFCD06658411 | 4-CHLORO-5H-PYRROL[3,2-D] PYRIMIDINE | FT-0654302 | CL3423 | G

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

PB34131 | 4-chloropyrrolo[3, 2-d]pyrimidine | SS-3037 | 4-Chloro-5H-pyrrolo(3, 2-d)pyrimidine | 5H-PYRROLO[3, 2-D]PYRIMIDINE, 4-CHLORO- | BDBM50591485 | J-515053 | SCHEMBL1374153 | MFCD06658411 | 4-CHLORO-5H-PYRROL[3, 2-D] PYRIMIDINE | FT-0654302 | CL3423 | G

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504763773
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763773
• Sonrisas canónicas: C1=CNC2=C1N=CN=C2Cl
• IUPAC Name: 4-chloro-5H-pyrrolo[3,2-d]pyrimidine
• InChIKey: ZGJDDWOXVGDTSP-UHFFFAOYSA-N
• INCHI: 1S/C6H4ClN3/c7-6-5-4(1-2-8-5)9-3-10-6/h1-3,8H
• Isómeros SMILES: C1=CNC2=C1N=CN=C2Cl
• Peso molecular: 153.57
• Reaxy-Rn: 638348
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=638348&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyrrolopyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyrrolopyrimidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolopyrimidines
• Alternative Parents: Halopyrimidines Aryl chlorides Pyrroles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrrolopyrimidine - Halopyrimidine - Pyrimidine - Aryl halide - Aryl chloride - Heteroaromatic compound - Pyrrole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyrrolopyrimidines. These are compounds containing a pyrrolopyrimidine moiety, which consists of a pyrrole ring fused to a pyrimidine. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. 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

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 153.570 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 153.009 Da
• Monoisotopic Mass: 153.009 Da
• Topological Polar Surface Area: 41.600 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 130.000
• 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