4-(5-bromothiophen-2-yl)-6-methyl-2-piperazin-1-ylpyrimidine

C13H15BrN4S — CID 116894826

IUPAC4-(5-bromothiophen-2-yl)-6-methyl-2-piperazin-1-ylpyrimidine
SMILESCc1cc(-c2ccc(Br)s2)nc(N2CCNCC2)n1
InChIInChI=1S/C13H15BrN4S/c1-9-8-10(11-2-3-12(14)19-11)17-13(16-9)18-6-4-15-5-7-18/h2-3,8,15H,4-7H2,1H3
InChIKeyLTZAMJLKPZCTNG-UHFFFAOYSA-N
MW339.26 g/mol
LogP2.69
Rot. Bonds2

About 4-(5-bromothiophen-2-yl)-6-methyl-2-piperazin-1-ylpyrimidine

4-(5-bromothiophen-2-yl)-6-methyl-2-piperazin-1-ylpyrimidine (PubChem CID 116894826) has the molecular formula C13H15BrN4S and a molecular weight of 339.26 g/mol. Its IUPAC name is 4-(5-bromothiophen-2-yl)-6-methyl-2-piperazin-1-ylpyrimidine.

Molecular Properties

Compound Name4-(5-bromothiophen-2-yl)-6-methyl-2-piperazin-1-ylpyrimidine
PubChem CID116894826
Molecular FormulaC13H15BrN4S
Molecular Weight339.26 g/mol
Exact Mass338.02
IUPAC Name4-(5-bromothiophen-2-yl)-6-methyl-2-piperazin-1-ylpyrimidine
SMILESCc1cc(-c2ccc(Br)s2)nc(N2CCNCC2)n1
InChIInChI=1S/C13H15BrN4S/c1-9-8-10(11-2-3-12(14)19-11)17-13(16-9)18-6-4-15-5-7-18/h2-3,8,15H,4-7H2,1H3
InChIKeyLTZAMJLKPZCTNG-UHFFFAOYSA-N
XLogP2.69
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.26
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromothiophen-2-yl)-6-methyl-2-piperazin-1-ylpyrimidine?
The IUPAC name of 4-(5-bromothiophen-2-yl)-6-methyl-2-piperazin-1-ylpyrimidine (CID 116894826) is 4-(5-bromothiophen-2-yl)-6-methyl-2-piperazin-1-ylpyrimidine.
What is the SMILES notation for 4-(5-bromothiophen-2-yl)-6-methyl-2-piperazin-1-ylpyrimidine?
The canonical SMILES for 4-(5-bromothiophen-2-yl)-6-methyl-2-piperazin-1-ylpyrimidine is Cc1cc(-c2ccc(Br)s2)nc(N2CCNCC2)n1.
What is the InChIKey of 4-(5-bromothiophen-2-yl)-6-methyl-2-piperazin-1-ylpyrimidine?
The InChIKey is LTZAMJLKPZCTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4S/c1-9-8-10(11-2-3-12(14)19-11)17-13(16-9)18-6-4-15-5-7-18/h2-3,8,15H,4-7H2,1H3.
What are the key properties of 4-(5-bromothiophen-2-yl)-6-methyl-2-piperazin-1-ylpyrimidine?
4-(5-bromothiophen-2-yl)-6-methyl-2-piperazin-1-ylpyrimidine has a molecular weight of 339.26 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromothiophen-2-yl)-6-methyl-2-piperazin-1-ylpyrimidine is sourced from PubChem (CID 116894826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).