1-[2-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione

C16H18F3N5O3 — CID 91631597

IUPAC1-[2-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
SMILESCc1nc(N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C16H18F3N5O3/c1-10-20-11(16(17,18)19)8-12(21-10)22-4-6-23(7-5-22)15(27)9-24-13(25)2-3-14(24)26/h8H,2-7,9H2,1H3
InChIKeyLHHXUEKNRUYKTD-UHFFFAOYSA-N
MW385.35 g/mol
LogP0.60
Rot. Bonds3

About 1-[2-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione

1-[2-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione (PubChem CID 91631597) has the molecular formula C16H18F3N5O3 and a molecular weight of 385.35 g/mol. Its IUPAC name is 1-[2-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
PubChem CID91631597
Molecular FormulaC16H18F3N5O3
Molecular Weight385.35 g/mol
Exact Mass385.14
IUPAC Name1-[2-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
SMILESCc1nc(N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cc(C(F)(F)F)n1
InChIInChI=1S/C16H18F3N5O3/c1-10-20-11(16(17,18)19)8-12(21-10)22-4-6-23(7-5-22)15(27)9-24-13(25)2-3-14(24)26/h8H,2-7,9H2,1H3
InChIKeyLHHXUEKNRUYKTD-UHFFFAOYSA-N
XLogP0.60
TPSA86.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.35
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pent-4-en-1-one
CID 91631591
1-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-2-thiophen-2-ylethanone
CID 91892385
furan-3-yl-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 91631637
2-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1-thiomorpholin-4-ylethanone
CID 171993086
(2-bromophenyl)-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 91631610
[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-quinoxalin-2-ylmethanone
CID 91631599
1-(4-methylphenyl)-4-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 91631587
1-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 122340554
1-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-2-phenoxypropan-1-one
CID 91631639
2-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carbonyl]chromen-4-one
CID 91817838
2-methyl-4-piperazin-1-yl-6-(trifluoromethyl)pyrimidine;dihydrochloride
CID 166606228
1-[4-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 114562180

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione (CID 91631597) is 1-[2-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione is Cc1nc(N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cc(C(F)(F)F)n1.
What is the InChIKey of 1-[2-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
The InChIKey is LHHXUEKNRUYKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N5O3/c1-10-20-11(16(17,18)19)8-12(21-10)22-4-6-23(7-5-22)15(27)9-24-13(25)2-3-14(24)26/h8H,2-7,9H2,1H3.
What are the key properties of 1-[2-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?
1-[2-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione has a molecular weight of 385.35 g/mol, XLogP of 0.60, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 91631597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).