1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

ethyl 6-bromoimidazo[1,2-a]pyrimidine-2-carboxylate

2.1.2 InChI

InChI=1S/C9H8BrN3O2/c1-2-15-8(14)7-5-13-4-6(10)3-11-9(13)12-7/h3-5H,2H2,1H3

2.1.3 InChI Key

IMKBFCDPIFTPLH-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCOC(=O)C1=CN2C=C(C=NC2=N1)Br

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 944896-67-7

2. Ethyl6-bromoimidazo[1,2-a]pyrimidine-2-carboxylate

3. 6-bromo-imidazo[1,2-a]pyrimidine-2-carboxylic Acid Ethyl Ester

4. Schembl21004926

5. Mfcd09838962

6. Zb1348

7. Zinc35635546

8. Akos017553094

9. Ab53400

10. As-68866

11. Cs-0047129

12. W15945

13. 6-bromoimidazo[1,2-a]pyrimidine-2-carboxylic Acid Ethyl Ester

14. Imidazo[1,2-a]pyrimidine-2-carboxylic Acid, 6-bromo-, Ethyl Ester

2.3 Create Date

2013-12-27

3 Chemical and Physical Properties

Molecular Formula	C₉H₈BrN₃O₂
Molecular Weight	270.08 g/mol
XLogP3	2.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	268.97999 g/mol
Monoisotopic Mass	268.97999 g/mol
Topological Polar Surface Area	56.5 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	252
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

944896-67-7