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

C12H13BrN4S — CID 116976344

IUPAC5-(5-bromothiophen-2-yl)-2-piperazin-1-ylpyrimidine
SMILESBrc1ccc(-c2cnc(N3CCNCC3)nc2)s1
InChIInChI=1S/C12H13BrN4S/c13-11-2-1-10(18-11)9-7-15-12(16-8-9)17-5-3-14-4-6-17/h1-2,7-8,14H,3-6H2
InChIKeyZSEXAGVKEMLFTG-UHFFFAOYSA-N
MW325.24 g/mol
LogP2.38
Rot. Bonds2

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

5-(5-bromothiophen-2-yl)-2-piperazin-1-ylpyrimidine (PubChem CID 116976344) has the molecular formula C12H13BrN4S and a molecular weight of 325.24 g/mol. Its IUPAC name is 5-(5-bromothiophen-2-yl)-2-piperazin-1-ylpyrimidine.

Molecular Properties

Compound Name5-(5-bromothiophen-2-yl)-2-piperazin-1-ylpyrimidine
PubChem CID116976344
Molecular FormulaC12H13BrN4S
Molecular Weight325.24 g/mol
Exact Mass324.00
IUPAC Name5-(5-bromothiophen-2-yl)-2-piperazin-1-ylpyrimidine
SMILESBrc1ccc(-c2cnc(N3CCNCC3)nc2)s1
InChIInChI=1S/C12H13BrN4S/c13-11-2-1-10(18-11)9-7-15-12(16-8-9)17-5-3-14-4-6-17/h1-2,7-8,14H,3-6H2
InChIKeyZSEXAGVKEMLFTG-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

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Frequently Asked Questions

What is the IUPAC name of 5-(5-bromothiophen-2-yl)-2-piperazin-1-ylpyrimidine?
The IUPAC name of 5-(5-bromothiophen-2-yl)-2-piperazin-1-ylpyrimidine (CID 116976344) is 5-(5-bromothiophen-2-yl)-2-piperazin-1-ylpyrimidine.
What is the SMILES notation for 5-(5-bromothiophen-2-yl)-2-piperazin-1-ylpyrimidine?
The canonical SMILES for 5-(5-bromothiophen-2-yl)-2-piperazin-1-ylpyrimidine is Brc1ccc(-c2cnc(N3CCNCC3)nc2)s1.
What is the InChIKey of 5-(5-bromothiophen-2-yl)-2-piperazin-1-ylpyrimidine?
The InChIKey is ZSEXAGVKEMLFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4S/c13-11-2-1-10(18-11)9-7-15-12(16-8-9)17-5-3-14-4-6-17/h1-2,7-8,14H,3-6H2.
What are the key properties of 5-(5-bromothiophen-2-yl)-2-piperazin-1-ylpyrimidine?
5-(5-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-(5-bromothiophen-2-yl)-2-piperazin-1-ylpyrimidine is sourced from PubChem (CID 116976344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).