1-[4-[6-(2-fluorophenyl)pyrimidin-4-yl]piperazin-1-yl]-2-hydroxy-4-methylpentan-1-one

C20H25FN4O2 — CID 68680225

IUPAC1-[4-[6-(2-fluorophenyl)pyrimidin-4-yl]piperazin-1-yl]-2-hydroxy-4-methylpentan-1-one
SMILESCC(C)CC(O)C(=O)N1CCN(c2cc(-c3ccccc3F)ncn2)CC1
InChIInChI=1S/C20H25FN4O2/c1-14(2)11-18(26)20(27)25-9-7-24(8-10-25)19-12-17(22-13-23-19)15-5-3-4-6-16(15)21/h3-6,12-14,18,26H,7-11H2,1-2H3
InChIKeyILIJGHQTASZDOB-UHFFFAOYSA-N
MW372.44 g/mol
LogP2.34
Rot. Bonds5

About 1-[4-[6-(2-fluorophenyl)pyrimidin-4-yl]piperazin-1-yl]-2-hydroxy-4-methylpentan-1-one

1-[4-[6-(2-fluorophenyl)pyrimidin-4-yl]piperazin-1-yl]-2-hydroxy-4-methylpentan-1-one (PubChem CID 68680225) has the molecular formula C20H25FN4O2 and a molecular weight of 372.44 g/mol. Its IUPAC name is 1-[4-[6-(2-fluorophenyl)pyrimidin-4-yl]piperazin-1-yl]-2-hydroxy-4-methylpentan-1-one.

Molecular Properties

Compound Name1-[4-[6-(2-fluorophenyl)pyrimidin-4-yl]piperazin-1-yl]-2-hydroxy-4-methylpentan-1-one
PubChem CID68680225
Molecular FormulaC20H25FN4O2
Molecular Weight372.44 g/mol
Exact Mass372.20
IUPAC Name1-[4-[6-(2-fluorophenyl)pyrimidin-4-yl]piperazin-1-yl]-2-hydroxy-4-methylpentan-1-one
SMILESCC(C)CC(O)C(=O)N1CCN(c2cc(-c3ccccc3F)ncn2)CC1
InChIInChI=1S/C20H25FN4O2/c1-14(2)11-18(26)20(27)25-9-7-24(8-10-25)19-12-17(22-13-23-19)15-5-3-4-6-16(15)21/h3-6,12-14,18,26H,7-11H2,1-2H3
InChIKeyILIJGHQTASZDOB-UHFFFAOYSA-N
XLogP2.34
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-hydroxy-1-[4-[6-(2-hydroxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-4-methylpentan-1-one
CID 135547516
2-[4-methyl-1-oxo-1-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]pentan-2-yl]isoindole-1,3-dione
CID 108759645
(2-fluorophenyl)-[4-[6-(2-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 50840875
1-[4-[6-(3-fluorophenyl)pyrimidin-4-yl]piperazin-1-yl]-2-phenylbutan-1-one
CID 50841058
2-(2-fluorophenoxy)-1-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 122343571
4-(2-fluorophenyl)-6-[4-[2-(sulfamoylamino)ethyl]piperidin-1-yl]pyrimidine
CID 134148683
(2S)-2-amino-4-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-1-one
CID 22691110
1-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-phenylbutan-1-one
CID 122343368
1-chloroethyl 4-[5-(2-fluorophenyl)-2-pyridinyl]piperazine-1-carboxylate
CID 141044300
[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 108736723
4-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-N-(3-methylbutyl)piperazine-1-carboxamide
CID 53104131
[3-(2,4-difluorophenyl)-1H-pyrazol-5-yl]-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 90516795

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(2-fluorophenyl)pyrimidin-4-yl]piperazin-1-yl]-2-hydroxy-4-methylpentan-1-one?
The IUPAC name of 1-[4-[6-(2-fluorophenyl)pyrimidin-4-yl]piperazin-1-yl]-2-hydroxy-4-methylpentan-1-one (CID 68680225) is 1-[4-[6-(2-fluorophenyl)pyrimidin-4-yl]piperazin-1-yl]-2-hydroxy-4-methylpentan-1-one.
What is the SMILES notation for 1-[4-[6-(2-fluorophenyl)pyrimidin-4-yl]piperazin-1-yl]-2-hydroxy-4-methylpentan-1-one?
The canonical SMILES for 1-[4-[6-(2-fluorophenyl)pyrimidin-4-yl]piperazin-1-yl]-2-hydroxy-4-methylpentan-1-one is CC(C)CC(O)C(=O)N1CCN(c2cc(-c3ccccc3F)ncn2)CC1.
What is the InChIKey of 1-[4-[6-(2-fluorophenyl)pyrimidin-4-yl]piperazin-1-yl]-2-hydroxy-4-methylpentan-1-one?
The InChIKey is ILIJGHQTASZDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O2/c1-14(2)11-18(26)20(27)25-9-7-24(8-10-25)19-12-17(22-13-23-19)15-5-3-4-6-16(15)21/h3-6,12-14,18,26H,7-11H2,1-2H3.
What are the key properties of 1-[4-[6-(2-fluorophenyl)pyrimidin-4-yl]piperazin-1-yl]-2-hydroxy-4-methylpentan-1-one?
1-[4-[6-(2-fluorophenyl)pyrimidin-4-yl]piperazin-1-yl]-2-hydroxy-4-methylpentan-1-one has a molecular weight of 372.44 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(2-fluorophenyl)pyrimidin-4-yl]piperazin-1-yl]-2-hydroxy-4-methylpentan-1-one is sourced from PubChem (CID 68680225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).