4-bromothieno[3,2-d]pyrimidine

C6H3BrN2S — CID 43314601

IUPAC4-bromothieno[3,2-d]pyrimidine
SMILESBrc1ncnc2ccsc12
InChIInChI=1S/C6H3BrN2S/c7-6-5-4(1-2-10-5)8-3-9-6/h1-3H
InChIKeyDNTCHXURFZZYED-UHFFFAOYSA-N
MW215.08 g/mol
LogP2.45
Rot. Bonds

About 4-bromothieno[3,2-d]pyrimidine

4-bromothieno[3,2-d]pyrimidine (PubChem CID 43314601) has the molecular formula C6H3BrN2S and a molecular weight of 215.08 g/mol. Its IUPAC name is 4-bromothieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-bromothieno[3,2-d]pyrimidine
PubChem CID43314601
Molecular FormulaC6H3BrN2S
Molecular Weight215.08 g/mol
Exact Mass213.92
IUPAC Name4-bromothieno[3,2-d]pyrimidine
SMILESBrc1ncnc2ccsc12
InChIInChI=1S/C6H3BrN2S/c7-6-5-4(1-2-10-5)8-3-9-6/h1-3H
InChIKeyDNTCHXURFZZYED-UHFFFAOYSA-N
XLogP2.45
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.08
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromothieno[3,2-d]pyrimidine?
The IUPAC name of 4-bromothieno[3,2-d]pyrimidine (CID 43314601) is 4-bromothieno[3,2-d]pyrimidine.
What is the SMILES notation for 4-bromothieno[3,2-d]pyrimidine?
The canonical SMILES for 4-bromothieno[3,2-d]pyrimidine is Brc1ncnc2ccsc12.
What is the InChIKey of 4-bromothieno[3,2-d]pyrimidine?
The InChIKey is DNTCHXURFZZYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrN2S/c7-6-5-4(1-2-10-5)8-3-9-6/h1-3H.
What are the key properties of 4-bromothieno[3,2-d]pyrimidine?
4-bromothieno[3,2-d]pyrimidine has a molecular weight of 215.08 g/mol, XLogP of 2.45, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromothieno[3,2-d]pyrimidine is sourced from PubChem (CID 43314601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).