4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-2-one

C11H13F3N4O — CID 56862186

IUPAC4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-2-one
SMILESO=C1CN(c2nccc(CCC(F)(F)F)n2)CCN1
InChIInChI=1S/C11H13F3N4O/c12-11(13,14)3-1-8-2-4-16-10(17-8)18-6-5-15-9(19)7-18/h2,4H,1,3,5-7H2,(H,15,19)
InChIKeyFJHNDSZNIHOGHV-UHFFFAOYSA-N
MW274.25 g/mol
LogP0.91
Rot. Bonds3

About 4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-2-one

4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-2-one (PubChem CID 56862186) has the molecular formula C11H13F3N4O and a molecular weight of 274.25 g/mol. Its IUPAC name is 4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-2-one.

Molecular Properties

Compound Name4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-2-one
PubChem CID56862186
Molecular FormulaC11H13F3N4O
Molecular Weight274.25 g/mol
Exact Mass274.10
IUPAC Name4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-2-one
SMILESO=C1CN(c2nccc(CCC(F)(F)F)n2)CCN1
InChIInChI=1S/C11H13F3N4O/c12-11(13,14)3-1-8-2-4-16-10(17-8)18-6-5-15-9(19)7-18/h2,4H,1,3,5-7H2,(H,15,19)
InChIKeyFJHNDSZNIHOGHV-UHFFFAOYSA-N
XLogP0.91
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Cyclohexyl-3-[2-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethyl]urea
CID 2810981
2-[(6-Ethyl-2-piperidin-1-ylpyrimidin-4-yl)amino]acetamide
CID 50968814
N-Ethyl-N-{1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-YL]pyrrolidin-3-YL}acetamide
CID 56865162
N-methyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyrrolidine-3-carboxamide
CID 56868588
N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56870118
N-(2-{[4-(3,3,3-Trifluoropropyl)pyrimidin-2-YL]amino}ethyl)acetamide
CID 56917547
3-Ethyl-4-(4-methylpyrimidin-2-yl)piperazin-2-one
CID 75379310
1-[4-[2-(Pyrimidin-5-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 95815234
2-(Methylamino)-1-[3-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]azetidin-1-yl]ethanone
CID 95842862
1-[2-[2-(Pyrimidin-5-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 110267170
2-(Methylamino)-1-[2-(4-methylpyrimidin-2-yl)piperidin-1-yl]ethanone
CID 110269942
2-Methyl-6-(2-{[4-(3,3,3-trifluoropropyl)pyrimidin-2-YL]amino}ethyl)pyrimidin-4-OL
CID 136185556

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-2-one?
The IUPAC name of 4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-2-one (CID 56862186) is 4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-2-one.
What is the SMILES notation for 4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-2-one?
The canonical SMILES for 4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-2-one is O=C1CN(c2nccc(CCC(F)(F)F)n2)CCN1.
What is the InChIKey of 4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-2-one?
The InChIKey is FJHNDSZNIHOGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4O/c12-11(13,14)3-1-8-2-4-16-10(17-8)18-6-5-15-9(19)7-18/h2,4H,1,3,5-7H2,(H,15,19).
What are the key properties of 4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-2-one?
4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-2-one has a molecular weight of 274.25 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperazin-2-one is sourced from PubChem (CID 56862186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).