3-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]pyrrolidin-2-one

C14H18F3N5O — CID 126889834

IUPAC3-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]pyrrolidin-2-one
SMILESO=C1NCCC1N1CCC(Nc2cc(C(F)(F)F)ncn2)CC1
InChIInChI=1S/C14H18F3N5O/c15-14(16,17)11-7-12(20-8-19-11)21-9-2-5-22(6-3-9)10-1-4-18-13(10)23/h7-10H,1-6H2,(H,18,23)(H,19,20,21)
InChIKeyXNLFVVZEZCCGLR-UHFFFAOYSA-N
MW329.33 g/mol
LogP1.26
Rot. Bonds3

About 3-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]pyrrolidin-2-one

3-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]pyrrolidin-2-one (PubChem CID 126889834) has the molecular formula C14H18F3N5O and a molecular weight of 329.33 g/mol. Its IUPAC name is 3-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]pyrrolidin-2-one
PubChem CID126889834
Molecular FormulaC14H18F3N5O
Molecular Weight329.33 g/mol
Exact Mass329.15
IUPAC Name3-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]pyrrolidin-2-one
SMILESO=C1NCCC1N1CCC(Nc2cc(C(F)(F)F)ncn2)CC1
InChIInChI=1S/C14H18F3N5O/c15-14(16,17)11-7-12(20-8-19-11)21-9-2-5-22(6-3-9)10-1-4-18-13(10)23/h7-10H,1-6H2,(H,18,23)(H,19,20,21)
InChIKeyXNLFVVZEZCCGLR-UHFFFAOYSA-N
XLogP1.26
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]pyrrolidin-2-one
CID 126888237
6-[[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]morpholin-3-one
CID 126889828
N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126876394
N-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 126889693
N-[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126889699
N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126889655
N-[1-(1,3,4-oxadiazol-2-ylmethyl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126889764
N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 171326775
N-[1-[(2-cyclobutylpyrimidin-4-yl)methyl]piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126889747
2-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126935418
4-methoxy-1-methyl-5-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidine-1-carbonyl]pyridin-2-one
CID 126889649
N-[1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 171704970

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]pyrrolidin-2-one?
The IUPAC name of 3-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]pyrrolidin-2-one (CID 126889834) is 3-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]pyrrolidin-2-one.
What is the SMILES notation for 3-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]pyrrolidin-2-one?
The canonical SMILES for 3-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]pyrrolidin-2-one is O=C1NCCC1N1CCC(Nc2cc(C(F)(F)F)ncn2)CC1.
What is the InChIKey of 3-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]pyrrolidin-2-one?
The InChIKey is XNLFVVZEZCCGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N5O/c15-14(16,17)11-7-12(20-8-19-11)21-9-2-5-22(6-3-9)10-1-4-18-13(10)23/h7-10H,1-6H2,(H,18,23)(H,19,20,21).
What are the key properties of 3-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]pyrrolidin-2-one?
3-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]pyrrolidin-2-one has a molecular weight of 329.33 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]pyrrolidin-2-one is sourced from PubChem (CID 126889834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).