2-(5-piperazin-1-ylpyrimidin-4-yl)phenol

C14H16N4O — CID 136934499

IUPAC2-(5-piperazin-1-ylpyrimidin-4-yl)phenol
SMILESOc1ccccc1-c1ncncc1N1CCNCC1
InChIInChI=1S/C14H16N4O/c19-13-4-2-1-3-11(13)14-12(9-16-10-17-14)18-7-5-15-6-8-18/h1-4,9-10,15,19H,5-8H2
InChIKeyXTERODQVDKPXRK-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.26
Rot. Bonds2

About 2-(5-piperazin-1-ylpyrimidin-4-yl)phenol

2-(5-piperazin-1-ylpyrimidin-4-yl)phenol (PubChem CID 136934499) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-(5-piperazin-1-ylpyrimidin-4-yl)phenol.

Molecular Properties

Compound Name2-(5-piperazin-1-ylpyrimidin-4-yl)phenol
PubChem CID136934499
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name2-(5-piperazin-1-ylpyrimidin-4-yl)phenol
SMILESOc1ccccc1-c1ncncc1N1CCNCC1
InChIInChI=1S/C14H16N4O/c19-13-4-2-1-3-11(13)14-12(9-16-10-17-14)18-7-5-15-6-8-18/h1-4,9-10,15,19H,5-8H2
InChIKeyXTERODQVDKPXRK-UHFFFAOYSA-N
XLogP1.26
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-bromophenyl)-5-piperazin-1-ylpyrimidine
CID 117211239
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
2-(4-cyclopropyl-5-piperazin-1-ylpyrimidin-2-yl)phenol
CID 136934525
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
2-[2-(1,4-diazepan-1-yl)pyrimidin-4-yl]phenol
CID 136967152
4-(2-methoxyphenyl)-5-piperazin-1-ylpyrimidin-2-amine
CID 117211251
4-(4-fluoro-8-piperazin-1-yl-2,6-naphthyridin-3-yl)naphthalen-2-ol
CID 154984379
4-(4-pyridin-2-ylpyrimidin-5-yl)morpholine
CID 173446688

Frequently Asked Questions

What is the IUPAC name of 2-(5-piperazin-1-ylpyrimidin-4-yl)phenol?
The IUPAC name of 2-(5-piperazin-1-ylpyrimidin-4-yl)phenol (CID 136934499) is 2-(5-piperazin-1-ylpyrimidin-4-yl)phenol.
What is the SMILES notation for 2-(5-piperazin-1-ylpyrimidin-4-yl)phenol?
The canonical SMILES for 2-(5-piperazin-1-ylpyrimidin-4-yl)phenol is Oc1ccccc1-c1ncncc1N1CCNCC1.
What is the InChIKey of 2-(5-piperazin-1-ylpyrimidin-4-yl)phenol?
The InChIKey is XTERODQVDKPXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c19-13-4-2-1-3-11(13)14-12(9-16-10-17-14)18-7-5-15-6-8-18/h1-4,9-10,15,19H,5-8H2.
What are the key properties of 2-(5-piperazin-1-ylpyrimidin-4-yl)phenol?
2-(5-piperazin-1-ylpyrimidin-4-yl)phenol has a molecular weight of 256.31 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-piperazin-1-ylpyrimidin-4-yl)phenol is sourced from PubChem (CID 136934499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).