6-methyl-1,5-dihydropyrazolo[3,4-d]pyrimidin-4-one - ≥97% , CAS No.30129-57-8

CAS: 30129-57-8 Cat. No.: M680366 Molecular Weight: 150.14 PubChem CID: 135456970

GRADE & PURITY ≥97%

Synonyms

6-methyl-1H-pyrazolo[3,4-djpyrimidin-4(5H)-one | 6-Methyl-1H-pyrazolo[3,4-d]pyrimidin-4(7H)-one | 6-Methyl-1H-pyrazolo[3,4-d]pyrimidin-4(7H)-one | 6-Methyl-1,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one | 1,5-Dihydro-6-methyl-4h-pyrazolo[3,4-d]pyrimidin-4-

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

6-methyl-1H-pyrazolo[3, 4-djpyrimidin-4(5H)-one | 6-Methyl-1H-pyrazolo[3, 4-d]pyrimidin-4(7H)-one | 6-Methyl-1H-pyrazolo[3, 4-d]pyrimidin-4(7H)-one | 6-Methyl-1, 7-dihydro-4H-pyrazolo[3, 4-d]pyrimidin-4-one | 1, 5-Dihydro-6-methyl-4h-pyrazolo[3, 4-d]pyrimidin-4-

Specifications & Purity

≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC1=NC2=C(C=NN2)C(=O)N1
• IUPAC Name: 6-methyl-1,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
• InChIKey: OCEQBYVMMNGTIV-UHFFFAOYSA-N
• INCHI: 1S/C6H6N4O/c1-3-8-5-4(2-7-10-5)6(11)9-3/h2H,1H3,(H2,7,8,9,10,11)
• Isomeric SMILES: CC1=NC2=C(C=NN2)C(=O)N1
• PubChem CID: 135456970
• Molecular Weight: 150.14

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyrazolopyrimidines
      • Subclass Pyrazolo[3,4-d]pyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyrazolopyrimidines
• Subclass: Pyrazolo[3,4-d]pyrimidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrazolo[3,4-d]pyrimidines
• Alternative Parents: Pyrimidones Vinylogous amides Pyrazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrazolo[3,4-d]pyrimidine - Pyrimidone - Pyrimidine - Azole - Pyrazole - Vinylogous amide - Heteroaromatic compound - Azacycle - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrazolo[3,4-d]pyrimidines. These are aromatic heterocyclic compounds containing a pyrazolo[3,4-d]pyrimidine ring system, which consists of a pyrazole ring fused to but and not sharing a nitrogen atom with a 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

Associated Targets(non-human)

Trypanosoma cruzi (99888 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Plasma (328 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 150.140 g/mol
• XLogP3: -0.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 150.054 Da
• Monoisotopic Mass: 150.054 Da
• Topological Polar Surface Area: 70.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 225.000
• 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