5-(2-chlorophenoxy)-2-piperazin-1-ylpyrimidine

C14H15ClN4O — CID 117224579

IUPAC5-(2-chlorophenoxy)-2-piperazin-1-ylpyrimidine
SMILESClc1ccccc1Oc1cnc(N2CCNCC2)nc1
InChIInChI=1S/C14H15ClN4O/c15-12-3-1-2-4-13(12)20-11-9-17-14(18-10-11)19-7-5-16-6-8-19/h1-4,9-10,16H,5-8H2
InChIKeyMTDFIBGATPKORW-UHFFFAOYSA-N
MW290.75 g/mol
LogP2.33
Rot. Bonds3

About 5-(2-chlorophenoxy)-2-piperazin-1-ylpyrimidine

5-(2-chlorophenoxy)-2-piperazin-1-ylpyrimidine (PubChem CID 117224579) has the molecular formula C14H15ClN4O and a molecular weight of 290.75 g/mol. Its IUPAC name is 5-(2-chlorophenoxy)-2-piperazin-1-ylpyrimidine.

Molecular Properties

Compound Name5-(2-chlorophenoxy)-2-piperazin-1-ylpyrimidine
PubChem CID117224579
Molecular FormulaC14H15ClN4O
Molecular Weight290.75 g/mol
Exact Mass290.09
IUPAC Name5-(2-chlorophenoxy)-2-piperazin-1-ylpyrimidine
SMILESClc1ccccc1Oc1cnc(N2CCNCC2)nc1
InChIInChI=1S/C14H15ClN4O/c15-12-3-1-2-4-13(12)20-11-9-17-14(18-10-11)19-7-5-16-6-8-19/h1-4,9-10,16H,5-8H2
InChIKeyMTDFIBGATPKORW-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

2-[2-(1,4-diazepan-1-yl)pyrimidin-5-yl]oxyphenol
CID 117224602
1-[5-[(2,6-dichlorophenyl)methoxy]pyrimidin-2-yl]-1,4-diazepane
CID 175982328
5-(2-fluorophenoxy)-2-piperidin-1-ylpyrimidine
CID 161189658
1-[5-(3-methylphenoxy)pyrimidin-2-yl]-1,4-diazepane
CID 117224594
5-[(4-fluorophenyl)methoxy]-2-piperazin-1-ylpyrimidine
CID 157163231
1-[5-(2,3-dichlorophenyl)pyrimidin-2-yl]-1,4-diazepane
CID 141432836
1-[5-(2-fluorophenoxy)-2-pyridinyl]piperazine;hydrochloride
CID 70607093
5-[(4-fluorophenyl)methoxy]-2-piperazin-1-ylpyrimidine;hydrochloride
CID 172813583
5-(2-chlorophenoxy)pyrimidine
CID 117231306
1-(2-chlorophenyl)piperazine
CID 162116490
1-(2-phenoxyphenyl)piperazine
CID 12996705
1-(2-chlorophenyl)piperazine;dihydrochloride
CID 3018683

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenoxy)-2-piperazin-1-ylpyrimidine?
The IUPAC name of 5-(2-chlorophenoxy)-2-piperazin-1-ylpyrimidine (CID 117224579) is 5-(2-chlorophenoxy)-2-piperazin-1-ylpyrimidine.
What is the SMILES notation for 5-(2-chlorophenoxy)-2-piperazin-1-ylpyrimidine?
The canonical SMILES for 5-(2-chlorophenoxy)-2-piperazin-1-ylpyrimidine is Clc1ccccc1Oc1cnc(N2CCNCC2)nc1.
What is the InChIKey of 5-(2-chlorophenoxy)-2-piperazin-1-ylpyrimidine?
The InChIKey is MTDFIBGATPKORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O/c15-12-3-1-2-4-13(12)20-11-9-17-14(18-10-11)19-7-5-16-6-8-19/h1-4,9-10,16H,5-8H2.
What are the key properties of 5-(2-chlorophenoxy)-2-piperazin-1-ylpyrimidine?
5-(2-chlorophenoxy)-2-piperazin-1-ylpyrimidine 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-(2-chlorophenoxy)-2-piperazin-1-ylpyrimidine is sourced from PubChem (CID 117224579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).