1-Benzyl-5-methyl-pyrimidine-2,4,6-trione

HCID 18936722
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CC1C(=O)NC(=O)N(Cc2ccccc2)C1=O
InChIKey
IKRKLQSAKDFPCB-UHFFFAOYSA-N
Molecular formula
C12H12N2O3
Average molar mass
232.23 g/mol
Monoisotopic mass
232.08479225

Names & identifiers

Preferred name
1-Benzyl-5-methyl-pyrimidine-2,4,6-trione
IUPAC
1-benzyl-5-methyl-1,3-diazinane-2,4,6-trione

Names & synonyms

SCHEMBL52525161-benzyl-5methylbarbituric acidIKRKLQSAKDFPCB-UHFFFAOYSA-N1-Benzyl-5-methyl-pyrimidine-2,4,6-trione3-benzyl-5-methylpyrimidine-2,4,6(1H,3H)-trione

Database identifiers

PubChem CID
18936722

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
66.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
17

Related reactions

3 records
New reaction record

Compound notes

Loading…