5-bromo-4-chlorothieno[2,3-d]pyrimidine

C6H2BrClN2S — CID 45480299

IUPAC5-bromo-4-chlorothieno[2,3-d]pyrimidine
SMILESClc1ncnc2scc(Br)c12
InChIInChI=1S/C6H2BrClN2S/c7-3-1-11-6-4(3)5(8)9-2-10-6/h1-2H
InChIKeyIKCKRHCJPVDELP-UHFFFAOYSA-N
MW249.52 g/mol
LogP3.11
Rot. Bonds

About 5-bromo-4-chlorothieno[2,3-d]pyrimidine

5-bromo-4-chlorothieno[2,3-d]pyrimidine (PubChem CID 45480299) has the molecular formula C6H2BrClN2S and a molecular weight of 249.52 g/mol. Its IUPAC name is 5-bromo-4-chlorothieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name5-bromo-4-chlorothieno[2,3-d]pyrimidine
PubChem CID45480299
Molecular FormulaC6H2BrClN2S
Molecular Weight249.52 g/mol
Exact Mass247.88
IUPAC Name5-bromo-4-chlorothieno[2,3-d]pyrimidine
SMILESClc1ncnc2scc(Br)c12
InChIInChI=1S/C6H2BrClN2S/c7-3-1-11-6-4(3)5(8)9-2-10-6/h1-2H
InChIKeyIKCKRHCJPVDELP-UHFFFAOYSA-N
XLogP3.11
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.52
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-bromo-4-chlorothieno[2,3-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Chloro-5-methylthieno[2,3-d]pyrimidine
CID 290225
4-Chlorothieno[2,3-d]pyrimidine
CID 736618
6-Bromo-4-chlorothieno[2,3-d]pyrimidine
CID 12225261
4-Chloro-6-iodothieno[2,3-d]pyrimidine
CID 44521627
2,4-Dichlorothieno[2,3-d]pyrimidine
CID 12217324
4-Bromothieno[2,3-d]pyrimidine
CID 12225264
2,4-Dichloro-5-methylthieno(2,3-d)pyrimidine
CID 12225299
4-Chloro-5-iodothieno[2,3-d]pyrimidine
CID 70700953
6-Bromo-2,4-dichlorothieno(2,3-d)pyrimidine
CID 105523651
4-Chloro-6-iodo-5-methylthieno[2,3-d]pyrimidine
CID 130115301
4-Chloro-5-methylthieno[2,3-d]pyrimidin-2-amine
CID 130116103
4-Chloro-5-(trifluoromethyl)thieno[2,3-d]pyrimidine
CID 71428099

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chlorothieno[2,3-d]pyrimidine?
The IUPAC name of 5-bromo-4-chlorothieno[2,3-d]pyrimidine (CID 45480299) is 5-bromo-4-chlorothieno[2,3-d]pyrimidine.
What is the SMILES notation for 5-bromo-4-chlorothieno[2,3-d]pyrimidine?
The canonical SMILES for 5-bromo-4-chlorothieno[2,3-d]pyrimidine is Clc1ncnc2scc(Br)c12.
What is the InChIKey of 5-bromo-4-chlorothieno[2,3-d]pyrimidine?
The InChIKey is IKCKRHCJPVDELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrClN2S/c7-3-1-11-6-4(3)5(8)9-2-10-6/h1-2H.
What are the key properties of 5-bromo-4-chlorothieno[2,3-d]pyrimidine?
5-bromo-4-chlorothieno[2,3-d]pyrimidine has a molecular weight of 249.52 g/mol, XLogP of 3.11, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chlorothieno[2,3-d]pyrimidine is sourced from PubChem (CID 45480299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).