5-Cyano-6-methyl-1-(2,4,6-trichloroanilino)-2,4-pyrimidinedione

HCID 13232255
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Basic information

Standard SMILES
Cc1c(C#N)c(=O)[nH]c(=O)n1Nc1c(Cl)cc(Cl)cc1Cl
InChIKey
QRVVNCIMVIDXCS-UHFFFAOYSA-N
Molecular formula
C12H7Cl3N4O2
Average molar mass
345.6 g/mol
Monoisotopic mass
343.963459

Names & identifiers

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

Names & synonyms

SCHEMBL11113558QRVVNCIMVIDXCS-UHFFFAOYSA-N5-cyano-6-methyl-1-(2,4,6-trichloroanilino)-2,4-pyrimidinedione

Database identifiers

PubChem CID
13232255

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
85.2 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
21

Related reactions

2 records
New reaction record

Linked notes

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