3-amino-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one;ethane

C16H24F3N5O — CID 156733425

IUPAC3-amino-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one;ethane
SMILESCC.NC1CCN(C2CCN(c3ncc(C(F)(F)F)cn3)CC2)C1=O
InChIInChI=1S/C14H18F3N5O.C2H6/c15-14(16,17)9-7-19-13(20-8-9)21-4-1-10(2-5-21)22-6-3-11(18)12(22)23;1-2/h7-8,10-11H,1-6,18H2;1-2H3
InChIKeyGRKWIJRGPHYLLN-UHFFFAOYSA-N
MW359.40 g/mol
LogP2.05
Rot. Bonds2

About 3-amino-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one;ethane

3-amino-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one;ethane (PubChem CID 156733425) has the molecular formula C16H24F3N5O and a molecular weight of 359.40 g/mol. Its IUPAC name is 3-amino-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one;ethane.

Molecular Properties

Compound Name3-amino-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one;ethane
PubChem CID156733425
Molecular FormulaC16H24F3N5O
Molecular Weight359.40 g/mol
Exact Mass359.19
IUPAC Name3-amino-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one;ethane
SMILESCC.NC1CCN(C2CCN(c3ncc(C(F)(F)F)cn3)CC2)C1=O
InChIInChI=1S/C14H18F3N5O.C2H6/c15-14(16,17)9-7-19-13(20-8-9)21-4-1-10(2-5-21)22-6-3-11(18)12(22)23;1-2/h7-8,10-11H,1-6,18H2;1-2H3
InChIKeyGRKWIJRGPHYLLN-UHFFFAOYSA-N
XLogP2.05
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one;ethane?
The IUPAC name of 3-amino-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one;ethane (CID 156733425) is 3-amino-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one;ethane.
What is the SMILES notation for 3-amino-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one;ethane?
The canonical SMILES for 3-amino-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one;ethane is CC.NC1CCN(C2CCN(c3ncc(C(F)(F)F)cn3)CC2)C1=O.
What is the InChIKey of 3-amino-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one;ethane?
The InChIKey is GRKWIJRGPHYLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N5O.C2H6/c15-14(16,17)9-7-19-13(20-8-9)21-4-1-10(2-5-21)22-6-3-11(18)12(22)23;1-2/h7-8,10-11H,1-6,18H2;1-2H3.
What are the key properties of 3-amino-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one;ethane?
3-amino-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one;ethane has a molecular weight of 359.40 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one;ethane is sourced from PubChem (CID 156733425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).