4-(5-bromothiophen-2-yl)pyrimidine

C8H5BrN2S — CID 18791072

IUPAC4-(5-bromothiophen-2-yl)pyrimidine
SMILESBrc1ccc(-c2ccncn2)s1
InChIInChI=1S/C8H5BrN2S/c9-8-2-1-7(12-8)6-3-4-10-5-11-6/h1-5H
InChIKeyZFBBQTASCQOFTA-UHFFFAOYSA-N
MW241.11 g/mol
LogP2.97
Rot. Bonds1

About 4-(5-bromothiophen-2-yl)pyrimidine

4-(5-bromothiophen-2-yl)pyrimidine (PubChem CID 18791072) has the molecular formula C8H5BrN2S and a molecular weight of 241.11 g/mol. Its IUPAC name is 4-(5-bromothiophen-2-yl)pyrimidine.

Molecular Properties

Compound Name4-(5-bromothiophen-2-yl)pyrimidine
PubChem CID18791072
Molecular FormulaC8H5BrN2S
Molecular Weight241.11 g/mol
Exact Mass239.94
IUPAC Name4-(5-bromothiophen-2-yl)pyrimidine
SMILESBrc1ccc(-c2ccncn2)s1
InChIInChI=1S/C8H5BrN2S/c9-8-2-1-7(12-8)6-3-4-10-5-11-6/h1-5H
InChIKeyZFBBQTASCQOFTA-UHFFFAOYSA-N
XLogP2.97
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.11
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromothiophen-2-yl)pyrimidine?
The IUPAC name of 4-(5-bromothiophen-2-yl)pyrimidine (CID 18791072) is 4-(5-bromothiophen-2-yl)pyrimidine.
What is the SMILES notation for 4-(5-bromothiophen-2-yl)pyrimidine?
The canonical SMILES for 4-(5-bromothiophen-2-yl)pyrimidine is Brc1ccc(-c2ccncn2)s1.
What is the InChIKey of 4-(5-bromothiophen-2-yl)pyrimidine?
The InChIKey is ZFBBQTASCQOFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrN2S/c9-8-2-1-7(12-8)6-3-4-10-5-11-6/h1-5H.
What are the key properties of 4-(5-bromothiophen-2-yl)pyrimidine?
4-(5-bromothiophen-2-yl)pyrimidine has a molecular weight of 241.11 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromothiophen-2-yl)pyrimidine is sourced from PubChem (CID 18791072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).