1-Ethyl-5-methyl-5-(4,5,6,7-tetrafluoro-1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-2,4,6(1H,3H,5H)-pyrimidinetrione

HCID 24765668

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CCN1C(=O)NC(=O)C(C)(N2C(=O)c3c(F)c(F)c(F)c(F)c3C2=O)C1=O
InChIKey: NUGXXGLKPAJMEO-UHFFFAOYSA-N
Molecular formula: C15H9F4N3O5
Average molar mass: 387.24 g/mol
Monoisotopic mass: 387.04783304

Names & identifiers

Preferred name: 1-Ethyl-5-methyl-5-(4,5,6,7-tetrafluoro-1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-2,4,6(1H,3H,5H)-pyrimidinetrione
IUPAC: 1-ethyl-5-methyl-5-(4,5,6,7-tetrafluoro-1,3-dioxoisoindol-2-yl)-1,3-diazinane-2,4,6-trione

Names & synonyms

SCHEMBL825911NUGXXGLKPAJMEO-UHFFFAOYSA-NNSC748722NSC-7487221-Ethyl-5-methyl-5-(4,5,6,7-tetrafluoro-1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-2,4,6(1H,3H,5H)-pyrimidinetrione

Database identifiers

PubChem CID: 24765668

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 104 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 9
Rotatable bonds: 2
Heavy atoms: 27
Formal charge: 0
Complexity: 732

Related reactions

8 records

New reaction record

HRID 100258As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 940792As reactantValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1097274As productuspto-grants-2012_03

HRID 1097275As reactantuspto-grants-2012_03

HRID 1097276As reactantuspto-grants-2012_03

HRID 1097277As reactantuspto-grants-2012_03

HRID 1216190As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1560961As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

Loading…