Basic information
- CAS
15018-52-7- Standard SMILES
CN1C(=O)C(Cc2ccccc2)C(=O)N(C)C1=O- InChIKey
JOBKZALYQYGIAA-UHFFFAOYSA-N- Molecular formula
- C13H14N2O3
- Average molar mass
- 246.26 g/mol
- Monoisotopic mass
- 246.10044231
Names & identifiers
- Preferred name
- 1,3-Dimethyl-5-(phenylmethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
- IUPAC
- 5-benzyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione
Names & synonyms
BARBITURIC ACID, 5-BENZYL-1,3-DIMETHYL-15018-52-72,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-dimethyl-5-(phenylmethyl)-DTXSID50164484RefChem:1052876DTXCID00869751,3-Dimethyl-5-(phenylmethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione5-benzyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione5-Benzyl-1,3-dimethylbarbituric acidRU5F9H5XHEMLS002707089NSC-120879
Show more names
NSC 120879BRN 0225511NSC120879UNII-RU5F9H5XHE5-24-09-00282 (Beilstein Handbook Reference)SCHEMBL4435666CHEMBL1904800SMR001574484
Database identifiers
- CAS
15018-52-7- PubChem CID
- 27002
- DTXSID
DTXSID50164484- ChEMBL
CHEMBL1904800- UNII
- RU5F9H5XHE
- Nikkaji
- J54.719K
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 57.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 350
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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