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1-Methyl-1H-pyrazolo[4,3-d]pyrimidin-7-ol - 98%, high purity , CAS No.314021-93-7
Basic Description
Synonyms
1-METHYL-1H-PYRAZOLO[4,3-D]PYRIMIDIN-7-OL | 314021-93-7 | 1-METHYL-6H-PYRAZOLO[4,3-D]PYRIMIDIN-7-ONE | 7H-Pyrazolo[4,3-d]pyrimidin-7-one, 1,4-dihydro-1-methyl- (9CI) | 1-Methyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one | MLS000079230 | 1-methyl-4H-pyrazolo[4,3-d]
Specifications & Purity
≥98%
Shipped In
Normal
Taxonomic Classification
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 Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrazolopyrimidine - Pyrimidone - Pyrimidine - Azole - Pyrazole - Vinylogous amide - Heteroaromatic compound - Azacycle - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - 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.
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
1-methyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
INCHI
InChI=1S/C6H6N4O/c1-10-5-4(2-9-10)7-3-8-6(5)11/h2-3H,1H3,(H,7,8,11)
InChIKey
JAFSZKZHCNWJIY-UHFFFAOYSA-N
Smiles
CN1C2=C(C=N1)N=CNC2=O
Isomeric SMILES
CN1C2=C(C=N1)N=CNC2=O
Molecular Weight
150.14
Reaxy-Rn
31129456
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=31129456&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
150.140 g/mol
XLogP3
-0.600
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
0
Exact Mass
150.054 Da
Monoisotopic Mass
150.054 Da
Topological Polar Surface Area
59.300 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
215.000
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
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