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

C6H3BrCl2N2S — CID 122360142

IUPAC6-bromo-4-chlorothieno[3,2-d]pyrimidine;hydrochloride
SMILESCl.Clc1ncnc2cc(Br)sc12
InChIInChI=1S/C6H2BrClN2S.ClH/c7-4-1-3-5(11-4)6(8)10-2-9-3;/h1-2H;1H
InChIKeyIMGNPTYBOBCZFN-UHFFFAOYSA-N
MW285.98 g/mol
LogP3.53
Rot. Bonds

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

6-bromo-4-chlorothieno[3,2-d]pyrimidine;hydrochloride (PubChem CID 122360142) has the molecular formula C6H3BrCl2N2S and a molecular weight of 285.98 g/mol. Its IUPAC name is 6-bromo-4-chlorothieno[3,2-d]pyrimidine;hydrochloride.

Molecular Properties

Compound Name6-bromo-4-chlorothieno[3,2-d]pyrimidine;hydrochloride
PubChem CID122360142
Molecular FormulaC6H3BrCl2N2S
Molecular Weight285.98 g/mol
Exact Mass283.86
IUPAC Name6-bromo-4-chlorothieno[3,2-d]pyrimidine;hydrochloride
SMILESCl.Clc1ncnc2cc(Br)sc12
InChIInChI=1S/C6H2BrClN2S.ClH/c7-4-1-3-5(11-4)6(8)10-2-9-3;/h1-2H;1H
InChIKeyIMGNPTYBOBCZFN-UHFFFAOYSA-N
XLogP3.53
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.98
LogP ≤ 53.53
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;hydrochloride?
The IUPAC name of 6-bromo-4-chlorothieno[3,2-d]pyrimidine;hydrochloride (CID 122360142) is 6-bromo-4-chlorothieno[3,2-d]pyrimidine;hydrochloride.
What is the SMILES notation for 6-bromo-4-chlorothieno[3,2-d]pyrimidine;hydrochloride?
The canonical SMILES for 6-bromo-4-chlorothieno[3,2-d]pyrimidine;hydrochloride is Cl.Clc1ncnc2cc(Br)sc12.
What is the InChIKey of 6-bromo-4-chlorothieno[3,2-d]pyrimidine;hydrochloride?
The InChIKey is IMGNPTYBOBCZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrClN2S.ClH/c7-4-1-3-5(11-4)6(8)10-2-9-3;/h1-2H;1H.
What are the key properties of 6-bromo-4-chlorothieno[3,2-d]pyrimidine;hydrochloride?
6-bromo-4-chlorothieno[3,2-d]pyrimidine;hydrochloride has a molecular weight of 285.98 g/mol, XLogP of 3.53, 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;hydrochloride is sourced from PubChem (CID 122360142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).