5-cyano-1-(N-hydroxymethyl-2,4,6-trichloroanilino)-2,4-pyrimidinedione

HCID 13232256
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Basic information

Standard SMILES
N#Cc1cn(N(CO)c2c(Cl)cc(Cl)cc2Cl)c(=O)[nH]c1=O
InChIKey
UKZXBZPACZTOCZ-UHFFFAOYSA-N
Molecular formula
C12H7Cl3N4O3
Average molar mass
361.6 g/mol

Names & identifiers

Preferred name
5-cyano-1-(N-hydroxymethyl-2,4,6-trichloroanilino)-2,4-pyrimidinedione
IUPAC
2,4-dioxo-1-[2,4,6-trichloro-N-(hydroxymethyl)anilino]pyrimidine-5-carbonitrile

Names & synonyms

SCHEMBL11111963UKZXBZPACZTOCZ-UHFFFAOYSA-N5-cyano-1-(N-hydroxymethyl-2,4,6-trichloroanilino)-2,4-pyrimidinedione

Database identifiers

PubChem CID
13232256

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
96.7 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
22

Related reactions

3 records
New reaction record

Compound notes

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