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

C6HBrCl2N2S — CID 56773436

IUPAC6-bromo-2,4-dichlorothieno[3,2-d]pyrimidine
SMILESClc1nc(Cl)c2sc(Br)cc2n1
InChIInChI=1S/C6HBrCl2N2S/c7-3-1-2-4(12-3)5(8)11-6(9)10-2/h1H
InChIKeyJSIBZFQOVIDMRH-UHFFFAOYSA-N
MW283.97 g/mol
LogP3.76
Rot. Bonds

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

6-bromo-2,4-dichlorothieno[3,2-d]pyrimidine (PubChem CID 56773436) has the molecular formula C6HBrCl2N2S and a molecular weight of 283.97 g/mol. Its IUPAC name is 6-bromo-2,4-dichlorothieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name6-bromo-2,4-dichlorothieno[3,2-d]pyrimidine
PubChem CID56773436
Molecular FormulaC6HBrCl2N2S
Molecular Weight283.97 g/mol
Exact Mass281.84
IUPAC Name6-bromo-2,4-dichlorothieno[3,2-d]pyrimidine
SMILESClc1nc(Cl)c2sc(Br)cc2n1
InChIInChI=1S/C6HBrCl2N2S/c7-3-1-2-4(12-3)5(8)11-6(9)10-2/h1H
InChIKeyJSIBZFQOVIDMRH-UHFFFAOYSA-N
XLogP3.76
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.97
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2,4-dichlorothieno[3,2-d]pyrimidine?
The IUPAC name of 6-bromo-2,4-dichlorothieno[3,2-d]pyrimidine (CID 56773436) is 6-bromo-2,4-dichlorothieno[3,2-d]pyrimidine.
What is the SMILES notation for 6-bromo-2,4-dichlorothieno[3,2-d]pyrimidine?
The canonical SMILES for 6-bromo-2,4-dichlorothieno[3,2-d]pyrimidine is Clc1nc(Cl)c2sc(Br)cc2n1.
What is the InChIKey of 6-bromo-2,4-dichlorothieno[3,2-d]pyrimidine?
The InChIKey is JSIBZFQOVIDMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HBrCl2N2S/c7-3-1-2-4(12-3)5(8)11-6(9)10-2/h1H.
What are the key properties of 6-bromo-2,4-dichlorothieno[3,2-d]pyrimidine?
6-bromo-2,4-dichlorothieno[3,2-d]pyrimidine has a molecular weight of 283.97 g/mol, XLogP of 3.76, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2,4-dichlorothieno[3,2-d]pyrimidine is sourced from PubChem (CID 56773436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).