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2,6-dichloro-8-methyl-9H-purine - 97%, high purity , CAS No.57476-37-6
Discover 2,6-dichloro-8-methyl-9H-purine by Aladdin Scientific in 97% for only $282.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
2,6-Dichloro-8-methyl-9H-purine | 57476-37-6 | 2,6-dichloro-8-methyl-7H-purine | MFCD17016015 | 1H-Purine, 2,6-dichloro-8-methyl- | 2,6-dichloromonomethylpurine | SCHEMBL12592351 | SCHEMBL16499673 | DTXSID20478242 | OKYAPKJJKHBWIO-UHFFFAOYSA-N | AKOS016009113 | AKOS028109005 | P
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Imidazopyrimidines
Subclass
Purines and purine derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Purines and purine derivatives
Alternative Parents
2-halopyrimidines Aryl chlorides Imidazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Purine - 2-halopyrimidine - Halopyrimidine - Aryl chloride - Aryl halide - Pyrimidine - Azole - Heteroaromatic compound - Imidazole - Azacycle - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organochloride - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as purines and purine derivatives. These are aromatic heterocyclic compounds containing a purine moiety, which is formed a pyrimidine-ring ring fused to an imidazole 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.
Names and Identifiers
IUPAC Name
2,6-dichloro-8-methyl-7H-purine
INCHI
InChI=1S/C6H4Cl2N4/c1-2-9-3-4(7)11-6(8)12-5(3)10-2/h1H3,(H,9,10,11,12)
InChIKey
OKYAPKJJKHBWIO-UHFFFAOYSA-N
Smiles
CC1=NC2=C(N1)C(=NC(=N2)Cl)Cl
Isomeric SMILES
CC1=NC2=C(N1)C(=NC(=N2)Cl)Cl
Molecular Weight
203.03
Reaxy-Rn
27847366
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=27847366&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
203.030 g/mol
XLogP3
2.400
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
0
Exact Mass
201.981 Da
Monoisotopic Mass
201.981 Da
Topological Polar Surface Area
54.500 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
179.000
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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