5-(4-bromothiophen-2-yl)-2-piperazin-1-ylpyrimidine

C12H13BrN4S — CID 116976347

IUPAC5-(4-bromothiophen-2-yl)-2-piperazin-1-ylpyrimidine
SMILESBrc1csc(-c2cnc(N3CCNCC3)nc2)c1
InChIInChI=1S/C12H13BrN4S/c13-10-5-11(18-8-10)9-6-15-12(16-7-9)17-3-1-14-2-4-17/h5-8,14H,1-4H2
InChIKeySJQFMCLMOQMEJY-UHFFFAOYSA-N
MW325.24 g/mol
LogP2.38
Rot. Bonds2

About 5-(4-bromothiophen-2-yl)-2-piperazin-1-ylpyrimidine

5-(4-bromothiophen-2-yl)-2-piperazin-1-ylpyrimidine (PubChem CID 116976347) has the molecular formula C12H13BrN4S and a molecular weight of 325.24 g/mol. Its IUPAC name is 5-(4-bromothiophen-2-yl)-2-piperazin-1-ylpyrimidine.

Molecular Properties

Compound Name5-(4-bromothiophen-2-yl)-2-piperazin-1-ylpyrimidine
PubChem CID116976347
Molecular FormulaC12H13BrN4S
Molecular Weight325.24 g/mol
Exact Mass324.00
IUPAC Name5-(4-bromothiophen-2-yl)-2-piperazin-1-ylpyrimidine
SMILESBrc1csc(-c2cnc(N3CCNCC3)nc2)c1
InChIInChI=1S/C12H13BrN4S/c13-10-5-11(18-8-10)9-6-15-12(16-7-9)17-3-1-14-2-4-17/h5-8,14H,1-4H2
InChIKeySJQFMCLMOQMEJY-UHFFFAOYSA-N
XLogP2.38
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.24
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(4-bromothiophen-2-yl)-2-piperazin-1-ylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(5-bromothiophen-2-yl)-2-piperazin-1-ylpyrimidine
CID 116976344
5-bromo-2-piperazin-1-ylpyrimidine;ethane
CID 143817069
5-(4-bromothiophen-2-yl)-N-piperidin-4-ylpyrimidin-2-amine
CID 116974771
1-(5-thiophen-2-ylpyrimidin-2-yl)-1,4-diazepane
CID 116976383
3-(4-bromothiophen-2-yl)-5-piperazin-1-yl-1,2-oxazole
CID 116825968
5-(4-fluorophenyl)-2-piperazin-1-ylpyrimidine;hydrochloride
CID 135146269
6-(4-fluorophenyl)-2-piperazin-1-ylthieno[2,3-d]pyrimidine
CID 66801974
2-piperazin-1-yl-5-propan-2-ylpyrimidine
CID 103278323
5-methyl-2-piperazin-1-ylpyrimidine;2-methylpropane
CID 145233053
2-piperazin-1-yl-1,3,5-triazine
CID 2760673
4-(2-piperazin-1-ylpyrimidin-5-yl)benzamide
CID 135146176
2-(1,4-diazepan-1-yl)-6-phenylthieno[2,3-d]pyrimidine
CID 66803857

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromothiophen-2-yl)-2-piperazin-1-ylpyrimidine?
The IUPAC name of 5-(4-bromothiophen-2-yl)-2-piperazin-1-ylpyrimidine (CID 116976347) is 5-(4-bromothiophen-2-yl)-2-piperazin-1-ylpyrimidine.
What is the SMILES notation for 5-(4-bromothiophen-2-yl)-2-piperazin-1-ylpyrimidine?
The canonical SMILES for 5-(4-bromothiophen-2-yl)-2-piperazin-1-ylpyrimidine is Brc1csc(-c2cnc(N3CCNCC3)nc2)c1.
What is the InChIKey of 5-(4-bromothiophen-2-yl)-2-piperazin-1-ylpyrimidine?
The InChIKey is SJQFMCLMOQMEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4S/c13-10-5-11(18-8-10)9-6-15-12(16-7-9)17-3-1-14-2-4-17/h5-8,14H,1-4H2.
What are the key properties of 5-(4-bromothiophen-2-yl)-2-piperazin-1-ylpyrimidine?
5-(4-bromothiophen-2-yl)-2-piperazin-1-ylpyrimidine has a molecular weight of 325.24 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromothiophen-2-yl)-2-piperazin-1-ylpyrimidine is sourced from PubChem (CID 116976347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).