1,6-dimethyl-1H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidine-5,7-dione , CAS No.56536-24-4

CAS: 56536-24-4 Cat. No.: D669688 Molecular Weight: 180.16 PubChem CID: 155896587

Storage

Room temperature

Specifications

Storage

Room temperature

Names and Identifiers

• Canonical Smiles: CN1C(=O)C2=C(C=NN2C)NC1=O
• IUPAC Name: 1,6-dimethyl-4H-pyrazolo[4,3-d]pyrimidine-5,7-dione
• InChIKey: DOTCEVYMJKRBTL-UHFFFAOYSA-N
• INCHI: 1S/C7H8N4O2/c1-10-6(12)5-4(9-7(10)13)3-8-11(5)2/h3H,1-2H3,(H,9,13)
• PubChem CID: 155896587
• Molecular Weight: 180.16

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyrazolopyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyrazolopyrimidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrazolopyrimidines
• Alternative Parents: Pyrimidones Vinylogous amides Pyrazoles Heteroaromatic compounds Ureas Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrazolopyrimidine - Pyrimidone - Pyrimidine - Heteroaromatic compound - Vinylogous amide - Pyrazole - Azole - Urea - Lactam - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrazolopyrimidines. These are compounds containing a pyrazolopyrimidine skeleton, which consists of a pyrazole fused to a pyrimidine. Pyrazole is 5-membered ring consisting of three carbon atoms and two adjacent nitrogen centers. Pyrimidine is 6-membered ring consisting of four carbon atoms and two adjacent nitrogen atoms at the 1- and 3- ring position.
• 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