5-bromo-4-methyl-7H-pyrrolo[2,3-d]pyrimidine - ≥97% , CAS No.1415220-35-7

CAS: 1415220-35-7 Cat. No.: B628992 Molecular Weight: 212.05 PubChem CID: 71529995

GRADE & PURITY ≥97%

Synonyms

5-bromo-4-methyl-7H-pyrrolo[2,3-d]pyrimidine | 1415220-35-7 | SCHEMBL19306619 | SB16452 | F89176

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

5-bromo-4-methyl-7H-pyrrolo[2, 3-d]pyrimidine | 1415220-35-7 | SCHEMBL19306619 | SB16452 | F89176

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC1=C2C(=CNC2=NC=N1)Br
• IUPAC Name: 5-bromo-4-methyl-7H-pyrrolo[2,3-d]pyrimidine
• InChIKey: IVWWWFDWXSDSDK-UHFFFAOYSA-N
• INCHI: 1S/C7H6BrN3/c1-4-6-5(8)2-9-7(6)11-3-10-4/h2-3H,1H3,(H,9,10,11)
• Isomeric SMILES: CC1=C2C(=CNC2=NC=N1)Br
• PubChem CID: 71529995
• Molecular Weight: 212.05

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyrrolopyrimidines
      • Subclass Pyrrolo[2,3-d]pyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyrrolopyrimidines
• Subclass: Pyrrolo[2,3-d]pyrimidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolo[2,3-d]pyrimidines
• Alternative Parents: Substituted pyrroles Pyrimidines and pyrimidine derivatives Aryl bromides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrrolo[2,3-d]pyrimidine - Substituted pyrrole - Pyrimidine - Aryl halide - Aryl bromide - Heteroaromatic compound - Pyrrole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrrolo[2,3-d]pyrimidines. These are aromatic heteropolycyclic compounds containing a pyrrolo[2,3-d]pyrimidine ring system, which is an pyrrolopyrimidine isomers having the 3 ring nitrogen atoms at the 1-, 5-, and 7-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