butyl 6-methyl-7H-pyrrolo[2,3-d]pyrimidine-4-carboxylate - ≥97% , CAS No.1095822-84-6

CAS: 1095822-84-6 Cat. No.: B626850 Molecular Weight: 233.27 PubChem CID: 57538091

GRADE & PURITY ≥97%

Synonyms

butyl 6-methyl-7H-pyrrolo[2,3-d]pyrimidine-4-carboxylate | 1095822-84-6 | SCHEMBL12590789 | MFCD32068293 | BS-43754 | 4-Boc-6-methyl-7H-pyrrolo[2,3-d]pyrimidine | P19216

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

butyl 6-methyl-7H-pyrrolo[2, 3-d]pyrimidine-4-carboxylate | 1095822-84-6 | SCHEMBL12590789 | MFCD32068293 | BS-43754 | 4-Boc-6-methyl-7H-pyrrolo[2, 3-d]pyrimidine | P19216

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CCCCOC(=O)C1=C2C=C(NC2=NC=N1)C
• IUPAC Name: butyl 6-methyl-7H-pyrrolo[2,3-d]pyrimidine-4-carboxylate
• InChIKey: FMWKPWNPPRIYNF-UHFFFAOYSA-N
• INCHI: 1S/C12H15N3O2/c1-3-4-5-17-12(16)10-9-6-8(2)15-11(9)14-7-13-10/h6-7H,3-5H2,1-2H3,(H,13,14,15)
• Isomeric SMILES: CCCCOC(=O)C1=C2C=C(NC2=NC=N1)C
• PubChem CID: 57538091
• Molecular Weight: 233.27

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazines
      • Subclass Pyrimidines and pyrimidine derivatives
        • Level5 Pyrimidinecarboxylic acids and derivatives
          • Level6 Pyrimidinecarboxylic acids

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Pyrimidinecarboxylic acids and derivatives
• Direct Parent: Pyrimidinecarboxylic acids
• Alternative Parents: Pyrrolo[2,3-d]pyrimidines Substituted pyrroles Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrrolo[2,3-d]pyrimidine - Pyrimidine-6-carboxylic acid - Pyrrolopyrimidine - Substituted pyrrole - Pyrrole - Heteroaromatic compound - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrimidinecarboxylic acids. These are pyrimidines with a structure containing a carboxyl group attached to the pyrimidine ring.
• 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