6-bromo-4-chloro-2,7-dimethylthieno[3,2-d]pyrimidine

C8H6BrClN2S — CID 130115241

IUPAC6-bromo-4-chloro-2,7-dimethylthieno[3,2-d]pyrimidine
SMILESCc1nc(Cl)c2sc(Br)c(C)c2n1
InChIInChI=1S/C8H6BrClN2S/c1-3-5-6(13-7(3)9)8(10)12-4(2)11-5/h1-2H3
InChIKeyQYSUWLGFXHYABO-UHFFFAOYSA-N
MW277.57 g/mol
LogP3.72
Rot. Bonds

About 6-bromo-4-chloro-2,7-dimethylthieno[3,2-d]pyrimidine

6-bromo-4-chloro-2,7-dimethylthieno[3,2-d]pyrimidine (PubChem CID 130115241) has the molecular formula C8H6BrClN2S and a molecular weight of 277.57 g/mol. Its IUPAC name is 6-bromo-4-chloro-2,7-dimethylthieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name6-bromo-4-chloro-2,7-dimethylthieno[3,2-d]pyrimidine
PubChem CID130115241
Molecular FormulaC8H6BrClN2S
Molecular Weight277.57 g/mol
Exact Mass275.91
IUPAC Name6-bromo-4-chloro-2,7-dimethylthieno[3,2-d]pyrimidine
SMILESCc1nc(Cl)c2sc(Br)c(C)c2n1
InChIInChI=1S/C8H6BrClN2S/c1-3-5-6(13-7(3)9)8(10)12-4(2)11-5/h1-2H3
InChIKeyQYSUWLGFXHYABO-UHFFFAOYSA-N
XLogP3.72
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.57
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-chloro-2,7-dimethylthieno[3,2-d]pyrimidine?
The IUPAC name of 6-bromo-4-chloro-2,7-dimethylthieno[3,2-d]pyrimidine (CID 130115241) is 6-bromo-4-chloro-2,7-dimethylthieno[3,2-d]pyrimidine.
What is the SMILES notation for 6-bromo-4-chloro-2,7-dimethylthieno[3,2-d]pyrimidine?
The canonical SMILES for 6-bromo-4-chloro-2,7-dimethylthieno[3,2-d]pyrimidine is Cc1nc(Cl)c2sc(Br)c(C)c2n1.
What is the InChIKey of 6-bromo-4-chloro-2,7-dimethylthieno[3,2-d]pyrimidine?
The InChIKey is QYSUWLGFXHYABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrClN2S/c1-3-5-6(13-7(3)9)8(10)12-4(2)11-5/h1-2H3.
What are the key properties of 6-bromo-4-chloro-2,7-dimethylthieno[3,2-d]pyrimidine?
6-bromo-4-chloro-2,7-dimethylthieno[3,2-d]pyrimidine has a molecular weight of 277.57 g/mol, XLogP of 3.72, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-chloro-2,7-dimethylthieno[3,2-d]pyrimidine is sourced from PubChem (CID 130115241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).