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

C6H2BrClN2SCAS 814918-95-1249.51 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 the 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
814918-95-1
SMILES
C1=C(C2=C(S1)N=CN=C2Cl)Br
InChIKey
IKCKRHCJPVDELP-UHFFFAOYSA-N
InChI
InChI=1S/C6H2BrClN2S/c7-3-1-11-6-4(3)5(8)9-2-10-6/h1-2H

Weigh it out

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

Work with 5-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-5-methylthieno[2,3-d]pyrimidine43088-67-159 % similar 4-Chloro-5-phenylthieno[2,3-D]pyrimidine182198-35-253 % similar 5-Bromo-4-chloro-7H-pyrrolo[2,3-D]pyrimidine22276-95-549 % similar 5-Bromo-4,6-dichloropyrimidine68797-61-545 % similar 3-Bromo-4-chloro-1H-pyrazolo[3,4-D]pyrimidine90914-41-344 % similar 5-Bromo-4-chloropyrimidine56181-39-644 % similar 4-Chlorothieno[2,3-D]pyrimidine14080-59-241 % similar 7-Bromo-4-chloro-5H-pyrrolo[3,2-D]pyrimidine1032650-41-141 % 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 6-Bromo-4-chlorothieno[2,3-D]pyrimidine56844-12-3

Elsewhere

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