1-(2,4,6-Trichloroanilino)-5-cyano-2,4-pyrimidinedione

HCID 13232248
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Basic information

Standard SMILES
N#Cc1cn(Nc2c(Cl)cc(Cl)cc2Cl)c(=O)[nH]c1=O
InChIKey
PMMPGEIZZXOMFA-UHFFFAOYSA-N
Molecular formula
C11H5Cl3N4O2
Average molar mass
331.5 g/mol
Monoisotopic mass
329.947808

Names & identifiers

Preferred name
1-(2,4,6-Trichloroanilino)-5-cyano-2,4-pyrimidinedione
IUPAC
2,4-dioxo-1-(2,4,6-trichloroanilino)pyrimidine-5-carbonitrile

Names & synonyms

SCHEMBL11102313PMMPGEIZZXOMFA-UHFFFAOYSA-N1-(2,4,6-trichloroanilino)-5-cyano-2,4-pyrimidinedione5-cyano-1-(2,4,6-trichloroanilino)-2,4-pyrimidinedione

Database identifiers

PubChem CID
13232248

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
85.2 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
20

Related reactions

5 records
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Compound notes

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