4-(2-bromophenyl)-5-piperazin-1-ylpyrimidine

C14H15BrN4 — CID 117211239

IUPAC4-(2-bromophenyl)-5-piperazin-1-ylpyrimidine
SMILESBrc1ccccc1-c1ncncc1N1CCNCC1
InChIInChI=1S/C14H15BrN4/c15-12-4-2-1-3-11(12)14-13(9-17-10-18-14)19-7-5-16-6-8-19/h1-4,9-10,16H,5-8H2
InChIKeyXRBOWBKGAGXXNC-UHFFFAOYSA-N
MW319.21 g/mol
LogP2.32
Rot. Bonds2

About 4-(2-bromophenyl)-5-piperazin-1-ylpyrimidine

4-(2-bromophenyl)-5-piperazin-1-ylpyrimidine (PubChem CID 117211239) has the molecular formula C14H15BrN4 and a molecular weight of 319.21 g/mol. Its IUPAC name is 4-(2-bromophenyl)-5-piperazin-1-ylpyrimidine.

Molecular Properties

Compound Name4-(2-bromophenyl)-5-piperazin-1-ylpyrimidine
PubChem CID117211239
Molecular FormulaC14H15BrN4
Molecular Weight319.21 g/mol
Exact Mass318.05
IUPAC Name4-(2-bromophenyl)-5-piperazin-1-ylpyrimidine
SMILESBrc1ccccc1-c1ncncc1N1CCNCC1
InChIInChI=1S/C14H15BrN4/c15-12-4-2-1-3-11(12)14-13(9-17-10-18-14)19-7-5-16-6-8-19/h1-4,9-10,16H,5-8H2
InChIKeyXRBOWBKGAGXXNC-UHFFFAOYSA-N
XLogP2.32
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.21
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-piperazin-1-ylpyrimidin-4-yl)phenol
CID 136934499
4-(2-methoxyphenyl)-5-piperazin-1-ylpyrimidine
CID 117211247
4-phenyl-5-piperazin-1-ylpyrimidine
CID 59511159
4-(3-chlorophenyl)-5-piperazin-1-ylpyrimidine
CID 117211143
4-(2-chlorophenyl)-5-piperazin-1-ylpyrimidin-2-amine
CID 117211243
4-cyclobutyl-5-piperazin-1-ylpyrimidine
CID 117211014
1-(2-piperazin-1-ylphenyl)piperazine;hydrobromide
CID 118703673
5-bromo-4-(4-piperazin-1-ylphenoxy)pyrimidine
CID 115410870
4-(2-methoxyphenyl)-5-piperazin-1-ylpyrimidin-2-amine
CID 117211251
4-(4-pyridin-2-ylpyrimidin-5-yl)morpholine
CID 173446688
2-ethyl-4-(2-methoxyphenyl)-5-piperazin-1-ylpyrimidine
CID 117211903
2-piperazin-1-yl-1,3,5-triazine
CID 2760673

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)-5-piperazin-1-ylpyrimidine?
The IUPAC name of 4-(2-bromophenyl)-5-piperazin-1-ylpyrimidine (CID 117211239) is 4-(2-bromophenyl)-5-piperazin-1-ylpyrimidine.
What is the SMILES notation for 4-(2-bromophenyl)-5-piperazin-1-ylpyrimidine?
The canonical SMILES for 4-(2-bromophenyl)-5-piperazin-1-ylpyrimidine is Brc1ccccc1-c1ncncc1N1CCNCC1.
What is the InChIKey of 4-(2-bromophenyl)-5-piperazin-1-ylpyrimidine?
The InChIKey is XRBOWBKGAGXXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4/c15-12-4-2-1-3-11(12)14-13(9-17-10-18-14)19-7-5-16-6-8-19/h1-4,9-10,16H,5-8H2.
What are the key properties of 4-(2-bromophenyl)-5-piperazin-1-ylpyrimidine?
4-(2-bromophenyl)-5-piperazin-1-ylpyrimidine has a molecular weight of 319.21 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)-5-piperazin-1-ylpyrimidine is sourced from PubChem (CID 117211239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).