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ethyl 6-bromoimidazo[1,2-a]pyrimidine-3-carboxylate - 97%, high purity , CAS No.1251013-42-9
Basic Description
Synonyms
1251013-42-9 | Ethyl 6-bromoimidazo[1,2-a]pyrimidine-3-carboxylate | 6-Bromo-Imidazo[1,2-A]Pyrimidine-3-Carboxylic Acid Ethyl Ester | Ethyl6-bromoimidazo[1,2-a]pyrimidine-3-carboxylate | SCHEMBL19736932 | BAC01342 | MFCD14581542 | AM805307 | AS-68476 | F5
Specifications & Purity
≥97%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Imidazo[1,2-a]pyrimidines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Imidazo[1,2-a]pyrimidines
Alternative Parents
Halopyrimidines Carbonylimidazoles N-substituted imidazoles Aryl bromides Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Imidazo[1,2-a]pyrimidine - Imidazole-4-carbonyl group - Halopyrimidine - Aryl bromide - Aryl halide - Pyrimidine - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as imidazo[1,2-a]pyrimidines. These are aromatic heteropolycyclic compounds containing an imidazole ring fused to and sharing one nitrogen 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.
Names and Identifiers
IUPAC Name
ethyl 6-bromoimidazo[1,2-a]pyrimidine-3-carboxylate
INCHI
InChI=1S/C9H8BrN3O2/c1-2-15-8(14)7-4-12-9-11-3-6(10)5-13(7)9/h3-5H,2H2,1H3
InChIKey
WDILKVDGYVAARP-UHFFFAOYSA-N
Smiles
CCOC(=O)C1=CN=C2N1C=C(C=N2)Br
Isomeric SMILES
CCOC(=O)C1=CN=C2N1C=C(C=N2)Br
PubChem CID
71305759
Molecular Weight
270.08
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
270.080 g/mol
XLogP3
2.400
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
3
Exact Mass
268.98 Da
Monoisotopic Mass
268.98 Da
Topological Polar Surface Area
56.500 Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
252.000
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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