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

C12H15F3N4O — CID 56866993

IUPAC3-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]piperidin-2-one
SMILESO=C1NCCCC1Nc1nccc(CCC(F)(F)F)n1
InChIInChI=1S/C12H15F3N4O/c13-12(14,15)5-3-8-4-7-17-11(18-8)19-9-2-1-6-16-10(9)20/h4,7,9H,1-3,5-6H2,(H,16,20)(H,17,18,19)
InChIKeyWMLHKCYMVZFYSJ-UHFFFAOYSA-N
MW288.27 g/mol
LogP1.66
Rot. Bonds4

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

3-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]piperidin-2-one (PubChem CID 56866993) has the molecular formula C12H15F3N4O and a molecular weight of 288.27 g/mol. Its IUPAC name is 3-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]piperidin-2-one.

Molecular Properties

Compound Name3-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]piperidin-2-one
PubChem CID56866993
Molecular FormulaC12H15F3N4O
Molecular Weight288.27 g/mol
Exact Mass288.12
IUPAC Name3-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]piperidin-2-one
SMILESO=C1NCCCC1Nc1nccc(CCC(F)(F)F)n1
InChIInChI=1S/C12H15F3N4O/c13-12(14,15)5-3-8-4-7-17-11(18-8)19-9-2-1-6-16-10(9)20/h4,7,9H,1-3,5-6H2,(H,16,20)(H,17,18,19)
InChIKeyWMLHKCYMVZFYSJ-UHFFFAOYSA-N
XLogP1.66
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-(3,3,3-Trifluoropropyl)pyrimidin-2-YL]amino}ethyl)acetamide
CID 56917547
3-Ethyl-4-(4-methylpyrimidin-2-yl)piperazin-2-one
CID 75379310
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
2-[4-(4-cyclopentylpyrimidin-2-yl)piperazin-1-yl]-N-ethylacetamide
CID 56869498
3-[[4-(Trifluoromethyl)pyrimidin-2-yl]amino]azepan-2-one
CID 47463922
Ethyl 4-{[4-(3,3,3-trifluoropropyl)pyrimidin-2-YL]amino}piperidine-1-carboxylate
CID 56861108
N,N-diethyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidine-3-carboxamide
CID 56861804
4-[4-(3,3,3-Trifluoropropyl)pyrimidin-2-yl]piperazin-2-one
CID 56862186
1-(2-{[4-(3,3,3-Trifluoropropyl)pyrimidin-2-yl]amino}ethyl)imidazolidin-2-one
CID 56862662

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]piperidin-2-one?
The IUPAC name of 3-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]piperidin-2-one (CID 56866993) is 3-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]piperidin-2-one.
What is the SMILES notation for 3-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]piperidin-2-one?
The canonical SMILES for 3-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]piperidin-2-one is O=C1NCCCC1Nc1nccc(CCC(F)(F)F)n1.
What is the InChIKey of 3-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]piperidin-2-one?
The InChIKey is WMLHKCYMVZFYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4O/c13-12(14,15)5-3-8-4-7-17-11(18-8)19-9-2-1-6-16-10(9)20/h4,7,9H,1-3,5-6H2,(H,16,20)(H,17,18,19).
What are the key properties of 3-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]piperidin-2-one?
3-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]piperidin-2-one has a molecular weight of 288.27 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]piperidin-2-one is sourced from PubChem (CID 56866993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).