Basic information
- Standard SMILES
Cc1c(C(=O)c2ccccc2)c(=O)n(C)c(=O)n1C- InChIKey
YWUIFHYPUIILNG-UHFFFAOYSA-N- Molecular formula
- C14H14N2O3
- Average molar mass
- 258.27 g/mol
- Monoisotopic mass
- 258.10044231
Names & identifiers
- Preferred name
- 5-benzoyl-1,3,6-trimethyl-2,4(1H,3H)-Pyrimidinedione
- IUPAC
- 5-benzoyl-1,3,6-trimethylpyrimidine-2,4-dione
Names & synonyms
444058-30-45-benzoyl-1,3,6-trimethyl-2,4(1H,3H)-Pyrimidinedione5-Benzoyl-1,3,6-trimethylpyrimidine-2,4(1H,3H)-dione5-benzoyl-1,3,6-trimethylpyrimidine-2,4-dioneMFCD039926832,4(1H,3H)-Pyrimidinedione, 5-benzoyl-1,3,6-trimethyl-MLS000718980SCHEMBL1260620CHEMBL1889033YWUIFHYPUIILNG-UHFFFAOYSA-NHMS1699K22HMS2730M15
Show more names
AKOS000665327CS-15736DA-38927SMR000291248CS-0040878D726835-benzoyl-1,3,6-trimethyl-pyrimidine-2,4-dioneF602036
Database identifiers
- PubChem CID
- 802308
- ChEMBL
CHEMBL1889033
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 57.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 461
Experimental & physicochemical properties
Solubility>38.7 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
7 records
Compound notes
Loading…