5-bromo-4-(4-piperazin-1-ylphenoxy)pyrimidine

C14H15BrN4O — CID 115410870

IUPAC5-bromo-4-(4-piperazin-1-ylphenoxy)pyrimidine
SMILESBrc1cncnc1Oc1ccc(N2CCNCC2)cc1
InChIInChI=1S/C14H15BrN4O/c15-13-9-17-10-18-14(13)20-12-3-1-11(2-4-12)19-7-5-16-6-8-19/h1-4,9-10,16H,5-8H2
InChIKeyLBQFYILOTFROSW-UHFFFAOYSA-N
MW335.21 g/mol
LogP2.44
Rot. Bonds3

About 5-bromo-4-(4-piperazin-1-ylphenoxy)pyrimidine

5-bromo-4-(4-piperazin-1-ylphenoxy)pyrimidine (PubChem CID 115410870) has the molecular formula C14H15BrN4O and a molecular weight of 335.21 g/mol. Its IUPAC name is 5-bromo-4-(4-piperazin-1-ylphenoxy)pyrimidine.

Molecular Properties

Compound Name5-bromo-4-(4-piperazin-1-ylphenoxy)pyrimidine
PubChem CID115410870
Molecular FormulaC14H15BrN4O
Molecular Weight335.21 g/mol
Exact Mass334.04
IUPAC Name5-bromo-4-(4-piperazin-1-ylphenoxy)pyrimidine
SMILESBrc1cncnc1Oc1ccc(N2CCNCC2)cc1
InChIInChI=1S/C14H15BrN4O/c15-13-9-17-10-18-14(13)20-12-3-1-11(2-4-12)19-7-5-16-6-8-19/h1-4,9-10,16H,5-8H2
InChIKeyLBQFYILOTFROSW-UHFFFAOYSA-N
XLogP2.44
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.21
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-4-(4-piperazin-1-ylphenoxy)pyrimidine
CID 105370183
1-[4-[(3-bromo-2-pyridinyl)oxy]phenyl]piperazine
CID 115410866
5-bromo-4-(4-iodophenoxy)pyrimidine
CID 66342526
5-bromo-4-(4-methoxyphenoxy)pyrimidine
CID 66317769
5-iodo-2-(4-piperazin-1-ylphenoxy)pyrimidine
CID 116648737
1-(4-phenoxyphenyl)piperazine
CID 3017356
(4-piperazin-1-ylphenoxy)boronic acid
CID 162076095
5-bromo-4-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine
CID 66342373
5-piperazin-1-ylpyrimidine;hydrochloride
CID 69201469
1-(4-bromophenyl)piperazine;hydrochloride
CID 14422838
5-bromo-4-(3-bromo-4-fluorophenoxy)pyrimidine
CID 83235339
1-[4-(3,4-dimethylphenoxy)phenyl]piperazine
CID 39382281

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(4-piperazin-1-ylphenoxy)pyrimidine?
The IUPAC name of 5-bromo-4-(4-piperazin-1-ylphenoxy)pyrimidine (CID 115410870) is 5-bromo-4-(4-piperazin-1-ylphenoxy)pyrimidine.
What is the SMILES notation for 5-bromo-4-(4-piperazin-1-ylphenoxy)pyrimidine?
The canonical SMILES for 5-bromo-4-(4-piperazin-1-ylphenoxy)pyrimidine is Brc1cncnc1Oc1ccc(N2CCNCC2)cc1.
What is the InChIKey of 5-bromo-4-(4-piperazin-1-ylphenoxy)pyrimidine?
The InChIKey is LBQFYILOTFROSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4O/c15-13-9-17-10-18-14(13)20-12-3-1-11(2-4-12)19-7-5-16-6-8-19/h1-4,9-10,16H,5-8H2.
What are the key properties of 5-bromo-4-(4-piperazin-1-ylphenoxy)pyrimidine?
5-bromo-4-(4-piperazin-1-ylphenoxy)pyrimidine has a molecular weight of 335.21 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(4-piperazin-1-ylphenoxy)pyrimidine is sourced from PubChem (CID 115410870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).