2,2,2-trifluoro-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

C10H11F3N4O — CID 753091

IUPAC2,2,2-trifluoro-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(N1CCN(c2ncccn2)CC1)C(F)(F)F
InChIInChI=1S/C10H11F3N4O/c11-10(12,13)8(18)16-4-6-17(7-5-16)9-14-2-1-3-15-9/h1-3H,4-7H2
InChIKeyWCMVNWLWFQNPTM-UHFFFAOYSA-N
MW260.22 g/mol
LogP0.69
Rot. Bonds1

About 2,2,2-trifluoro-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

2,2,2-trifluoro-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (PubChem CID 753091) has the molecular formula C10H11F3N4O and a molecular weight of 260.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
PubChem CID753091
Molecular FormulaC10H11F3N4O
Molecular Weight260.22 g/mol
Exact Mass260.09
IUPAC Name2,2,2-trifluoro-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(N1CCN(c2ncccn2)CC1)C(F)(F)F
InChIInChI=1S/C10H11F3N4O/c11-10(12,13)8(18)16-4-6-17(7-5-16)9-14-2-1-3-15-9/h1-3H,4-7H2
InChIKeyWCMVNWLWFQNPTM-UHFFFAOYSA-N
XLogP0.69
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.22
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,1,1,3,3,3-Hexafluoropropan-2-yl 3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidine-1-carboxylate
CID 137648574
N,N-dimethyl-3,5-dioxo-4-pyrimidin-2-ylpiperazine-1-sulfonamide
CID 25269413
Piperazine, 1-(1,3-dioxobutyl)-4-(2-pyrimidinyl)-
CID 3074859
2-Chloro-1-(4-(pyrimidin-2-yl)piperazin-1-yl)ethan-1-one
CID 4149207
N-butyl-4-(2-pyrimidinyl)-1-piperazinecarboxamide
CID 16189770
N-propyl-4-(2-pyrimidinyl)-1-piperazinecarboxamide
CID 2056701
2-(4-Propionyl 1-piperazinyl)pyrimidine
CID 5134239
2-(4-Methylpiperazin-1-yl)pyrimidine
CID 10329895
1-Piperazinecarboxamide, N-((dimethylamino)carbonyl)-N-methyl-4-(2-pyrimidinyl)-
CID 3066970
2-[4-(Pyrimidin-2-yl)piperazin-1-yl]acetonitrile
CID 22688903
2-(4-Pyrimidin-2-ylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone
CID 1439360
1-[(4-Pyrimidin-2-ylpiperazin-1-yl)methyl]pyrrolidine-2,5-dione
CID 2641575

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (CID 753091) is 2,2,2-trifluoro-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is O=C(N1CCN(c2ncccn2)CC1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is WCMVNWLWFQNPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4O/c11-10(12,13)8(18)16-4-6-17(7-5-16)9-14-2-1-3-15-9/h1-3H,4-7H2.
What are the key properties of 2,2,2-trifluoro-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
2,2,2-trifluoro-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 260.22 g/mol, XLogP of 0.69, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 753091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).