1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone

C11H13F3N4O — CID 153358146

IUPAC1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ncc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C11H13F3N4O/c1-8(19)17-2-4-18(5-3-17)10-15-6-9(7-16-10)11(12,13)14/h6-7H,2-5H2,1H3
InChIKeyMHJUNVCYGICMNV-UHFFFAOYSA-N
MW274.25 g/mol
LogP1.16
Rot. Bonds1

About 1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone

1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone (PubChem CID 153358146) has the molecular formula C11H13F3N4O and a molecular weight of 274.25 g/mol. Its IUPAC name is 1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone
PubChem CID153358146
Molecular FormulaC11H13F3N4O
Molecular Weight274.25 g/mol
Exact Mass274.10
IUPAC Name1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ncc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C11H13F3N4O/c1-8(19)17-2-4-18(5-3-17)10-15-6-9(7-16-10)11(12,13)14/h6-7H,2-5H2,1H3
InChIKeyMHJUNVCYGICMNV-UHFFFAOYSA-N
XLogP1.16
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,2-Trifluoro-1-(4-(pyrimidin-2-yl)piperazin-1-yl)ethan-1-one
CID 753091
2-(4-Propionyl 1-piperazinyl)pyrimidine
CID 5134239
1,3-Dimethyl-4-[[2-(propylamino)pyrimidin-5-yl]methyl]piperazin-2-one
CID 56702941
4-(4-Acetylpiperazin-1-yl)-5-ethylpyrimidin-2-amine
CID 72903655
2-Methoxy-5-[[4-(2-methylprop-2-enyl)piperazin-1-yl]methyl]pyrimidine
CID 73945347
2-[4-(5-Methylpyrimidin-2-yl)piperazin-1-yl]propanamide
CID 75433516
(4-Fluoropiperidin-1-yl)-pyrimidin-5-ylmethanone
CID 172438563
2-(Piperazin-1-YL)-5-(trifluoromethyl)pyrimidine
CID 16314797
N,N-diethyl-2-[4-(2-pyrimidyl)piperazino]acetamide;oxalic acid
CID 651793
N-(tert-butyl)-4-(5-methylpyrimidin-4-yl)piperazine-1-carboxamide
CID 71795070
1-(4-Pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 5134238
4-(4-Acetyl-1,4-diazepan-1-yl)-5-methylpyrimidin-2-amine
CID 72933589

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone (CID 153358146) is 1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2ncc(C(F)(F)F)cn2)CC1.
What is the InChIKey of 1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone?
The InChIKey is MHJUNVCYGICMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4O/c1-8(19)17-2-4-18(5-3-17)10-15-6-9(7-16-10)11(12,13)14/h6-7H,2-5H2,1H3.
What are the key properties of 1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone?
1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone has a molecular weight of 274.25 g/mol, XLogP of 1.16, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 153358146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).