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2-chloro-6-methyl-7H-pyrrolo[2,3-d]pyrimidine - 97%, high purity , CAS No.1060816-56-9
Discover 2-chloro-6-methyl-7H-pyrrolo[2,3-d]pyrimidine by Aladdin Scientific in 97% for only $2,919.90. Available - in Ligands at Aladdin Scientific. Tags: .
Basic Description
Synonyms
2-CHLORO-6-METHYL-7H-PYRROLO[2,3-D]PYRIMIDINE | 1060816-56-9 | SCHEMBL3398994 | DTXSID401252565 | AMY33594 | MFCD13189413 | AKOS025146804 | PB31115 | AS-33692 | CS-0051933 | A895862
Specifications & Purity
≥97%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolopyrimidines
Subclass
Pyrrolo[2,3-d]pyrimidines
Intermediate Tree Nodes
Not available
Direct Parent
Pyrrolo[2,3-d]pyrimidines
Alternative Parents
2-halopyrimidines Substituted pyrroles Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrrolo[2,3-d]pyrimidine - 2-halopyrimidine - Halopyrimidine - Aryl chloride - Aryl halide - Substituted pyrrole - Pyrimidine - Heteroaromatic compound - Pyrrole - Azacycle - Organic nitrogen compound - Organochloride - Organohalogen compound - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyrrolo[2,3-d]pyrimidines. These are aromatic heteropolycyclic compounds containing a pyrrolo[2,3-d]pyrimidine ring system, which is an pyrrolopyrimidine isomers having the 3 ring nitrogen atoms at the 1-, 5-, and 7-positions.
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-chloro-6-methyl-7H-pyrrolo[2,3-d]pyrimidine
INCHI
InChI=1S/C7H6ClN3/c1-4-2-5-3-9-7(8)11-6(5)10-4/h2-3H,1H3,(H,9,10,11)
InChIKey
RZAZSNWPTPEEJN-UHFFFAOYSA-N
Smiles
CC1=CC2=CN=C(N=C2N1)Cl
Isomeric SMILES
CC1=CC2=CN=C(N=C2N1)Cl
Molecular Weight
167.6
Reaxy-Rn
19353815
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19353815&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
167.590 g/mol
XLogP3
2.000
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Exact Mass
167.025 Da
Monoisotopic Mass
167.025 Da
Topological Polar Surface Area
41.600 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
153.000
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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