6-Bromo-4-chlorothieno[2,3-D]pyrimidine

C6H2BrClN2SCAS 56844-12-3249.51 g/mol

Open in Covalent MOL file
SNNClBr
Aryl halide

Properties

Molecular formula
C6H2BrClN2S
Molar mass
249.51 g/mol
Exact mass
247.8811 Da
logP
3.11Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
56844-12-3
SMILES
C1=C(SC2=C1C(=NC=N2)Cl)Br
InChIKey
CMIXHHOZGMSYKN-UHFFFAOYSA-N
InChI
InChI=1S/C6H2BrClN2S/c7-4-1-3-5(8)9-2-10-6(3)11-4/h1-2H

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 6-Bromo-4-chlorothieno[2,3-D]pyrimidine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Chloro-6-methylthieno(2,3-d)pyrimidine106691-21-858 % similar 6-Bromo-4-chloro-quinazoline38267-96-847 % similar 4-Chlorothieno[2,3-D]pyrimidine14080-59-244 % similar 5-Bromo-4,6-dichloropyrimidine68797-61-543 % similar 7-Bromo-4-chloroquinazoline573675-55-543 % similar 6-Bromo-4-chloro-7H-pyrrolo[2,3-d]pyrimidine784150-41-043 % similar 4-Chloro-quinazoline5190-68-141 % similar 4-Chloro-6-iodoquinazoline98556-31-139 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

6-Bromo-4-chlorothieno(3,2-d)pyrimidine225385-03-5 7-Bromo-4-chlorothieno[3,2-D]pyrimidine31169-27-4 5-Bromo-4-chlorothieno[2,3-D]pyrimidine814918-95-1

Elsewhere

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