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

C6H2BrClN2S — CID 18382796

IUPAC6-bromo-4-chlorothieno[3,2-d]pyrimidine
SMILESClc1ncnc2cc(Br)sc12
InChIInChI=1S/C6H2BrClN2S/c7-4-1-3-5(11-4)6(8)10-2-9-3/h1-2H
InChIKeyRJKAKJGOZXERRE-UHFFFAOYSA-N
MW249.52 g/mol
LogP3.11
Rot. Bonds

About 6-bromo-4-chlorothieno[3,2-d]pyrimidine

6-bromo-4-chlorothieno[3,2-d]pyrimidine (PubChem CID 18382796) has the molecular formula C6H2BrClN2S and a molecular weight of 249.52 g/mol. Its IUPAC name is 6-bromo-4-chlorothieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name6-bromo-4-chlorothieno[3,2-d]pyrimidine
PubChem CID18382796
Molecular FormulaC6H2BrClN2S
Molecular Weight249.52 g/mol
Exact Mass247.88
IUPAC Name6-bromo-4-chlorothieno[3,2-d]pyrimidine
SMILESClc1ncnc2cc(Br)sc12
InChIInChI=1S/C6H2BrClN2S/c7-4-1-3-5(11-4)6(8)10-2-9-3/h1-2H
InChIKeyRJKAKJGOZXERRE-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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-chlorothieno[3,2-d]pyrimidine?
The IUPAC name of 6-bromo-4-chlorothieno[3,2-d]pyrimidine (CID 18382796) is 6-bromo-4-chlorothieno[3,2-d]pyrimidine.
What is the SMILES notation for 6-bromo-4-chlorothieno[3,2-d]pyrimidine?
The canonical SMILES for 6-bromo-4-chlorothieno[3,2-d]pyrimidine is Clc1ncnc2cc(Br)sc12.
What is the InChIKey of 6-bromo-4-chlorothieno[3,2-d]pyrimidine?
The InChIKey is RJKAKJGOZXERRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrClN2S/c7-4-1-3-5(11-4)6(8)10-2-9-3/h1-2H.
What are the key properties of 6-bromo-4-chlorothieno[3,2-d]pyrimidine?
6-bromo-4-chlorothieno[3,2-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 6-bromo-4-chlorothieno[3,2-d]pyrimidine is sourced from PubChem (CID 18382796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).