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

C14H15ClN4O — CID 105370183

IUPAC5-chloro-4-(4-piperazin-1-ylphenoxy)pyrimidine
SMILESClc1cncnc1Oc1ccc(N2CCNCC2)cc1
InChIInChI=1S/C14H15ClN4O/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
InChIKeyHACHEJFJVLRJIC-UHFFFAOYSA-N
MW290.75 g/mol
LogP2.33
Rot. Bonds3

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

5-chloro-4-(4-piperazin-1-ylphenoxy)pyrimidine (PubChem CID 105370183) has the molecular formula C14H15ClN4O and a molecular weight of 290.75 g/mol. Its IUPAC name is 5-chloro-4-(4-piperazin-1-ylphenoxy)pyrimidine.

Molecular Properties

Compound Name5-chloro-4-(4-piperazin-1-ylphenoxy)pyrimidine
PubChem CID105370183
Molecular FormulaC14H15ClN4O
Molecular Weight290.75 g/mol
Exact Mass290.09
IUPAC Name5-chloro-4-(4-piperazin-1-ylphenoxy)pyrimidine
SMILESClc1cncnc1Oc1ccc(N2CCNCC2)cc1
InChIInChI=1S/C14H15ClN4O/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
InChIKeyHACHEJFJVLRJIC-UHFFFAOYSA-N
XLogP2.33
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-4-(4-piperazin-1-ylphenoxy)pyrimidine
CID 115410870
5-iodo-2-(4-piperazin-1-ylphenoxy)pyrimidine
CID 116648737
1-[4-[(3-bromo-2-pyridinyl)oxy]phenyl]piperazine
CID 115410866
1-(4-phenoxyphenyl)piperazine
CID 3017356
5-piperazin-1-ylpyrimidine;hydrochloride
CID 69201469
1-(5-methoxy-3-pyridinyl)piperazine;dihydrochloride
CID 126809385
1-[4-(3,4-dimethylphenoxy)phenyl]piperazine
CID 39382281
2-(4-piperazin-1-ylphenoxy)ethanol
CID 21363864
1-(5-butoxy-3-pyridinyl)piperazine
CID 22478494
1-(4-methoxyphenyl)piperazine;1-piperazin-1-ylethanone
CID 173297247
(4-piperazin-1-ylphenoxy)boronic acid
CID 162076095
1-[4-(methoxymethoxy)phenyl]-1,4-diazepane
CID 65364808

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(4-piperazin-1-ylphenoxy)pyrimidine?
The IUPAC name of 5-chloro-4-(4-piperazin-1-ylphenoxy)pyrimidine (CID 105370183) is 5-chloro-4-(4-piperazin-1-ylphenoxy)pyrimidine.
What is the SMILES notation for 5-chloro-4-(4-piperazin-1-ylphenoxy)pyrimidine?
The canonical SMILES for 5-chloro-4-(4-piperazin-1-ylphenoxy)pyrimidine is Clc1cncnc1Oc1ccc(N2CCNCC2)cc1.
What is the InChIKey of 5-chloro-4-(4-piperazin-1-ylphenoxy)pyrimidine?
The InChIKey is HACHEJFJVLRJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O/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-chloro-4-(4-piperazin-1-ylphenoxy)pyrimidine?
5-chloro-4-(4-piperazin-1-ylphenoxy)pyrimidine has a molecular weight of 290.75 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(4-piperazin-1-ylphenoxy)pyrimidine is sourced from PubChem (CID 105370183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).