6-bromo-4,5-dimethylthieno[2,3-d]pyrimidine

C8H7BrN2S — CID 145087498

IUPAC6-bromo-4,5-dimethylthieno[2,3-d]pyrimidine
SMILESCc1ncnc2sc(Br)c(C)c12
InChIInChI=1S/C8H7BrN2S/c1-4-6-5(2)10-3-11-8(6)12-7(4)9/h3H,1-2H3
InChIKeyKEHNIYIVKBFJJA-UHFFFAOYSA-N
MW243.13 g/mol
LogP3.07
Rot. Bonds

About 6-bromo-4,5-dimethylthieno[2,3-d]pyrimidine

6-bromo-4,5-dimethylthieno[2,3-d]pyrimidine (PubChem CID 145087498) has the molecular formula C8H7BrN2S and a molecular weight of 243.13 g/mol. Its IUPAC name is 6-bromo-4,5-dimethylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-bromo-4,5-dimethylthieno[2,3-d]pyrimidine
PubChem CID145087498
Molecular FormulaC8H7BrN2S
Molecular Weight243.13 g/mol
Exact Mass241.95
IUPAC Name6-bromo-4,5-dimethylthieno[2,3-d]pyrimidine
SMILESCc1ncnc2sc(Br)c(C)c12
InChIInChI=1S/C8H7BrN2S/c1-4-6-5(2)10-3-11-8(6)12-7(4)9/h3H,1-2H3
InChIKeyKEHNIYIVKBFJJA-UHFFFAOYSA-N
XLogP3.07
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.13
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4,5-dimethylthieno[2,3-d]pyrimidine?
The IUPAC name of 6-bromo-4,5-dimethylthieno[2,3-d]pyrimidine (CID 145087498) is 6-bromo-4,5-dimethylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 6-bromo-4,5-dimethylthieno[2,3-d]pyrimidine?
The canonical SMILES for 6-bromo-4,5-dimethylthieno[2,3-d]pyrimidine is Cc1ncnc2sc(Br)c(C)c12.
What is the InChIKey of 6-bromo-4,5-dimethylthieno[2,3-d]pyrimidine?
The InChIKey is KEHNIYIVKBFJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2S/c1-4-6-5(2)10-3-11-8(6)12-7(4)9/h3H,1-2H3.
What are the key properties of 6-bromo-4,5-dimethylthieno[2,3-d]pyrimidine?
6-bromo-4,5-dimethylthieno[2,3-d]pyrimidine has a molecular weight of 243.13 g/mol, XLogP of 3.07, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4,5-dimethylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 145087498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).