Basic information
- CAS
37431-42-8- Standard SMILES
CCC(=O)OC1(C(C)c2ccccc2)C(=O)NC(=O)N(C)C1=O- InChIKey
DRYNBDDKJPGBDG-UHFFFAOYSA-N- Molecular formula
- C16H18N2O5
- Average molar mass
- 318.32 g/mol
- Monoisotopic mass
- 318.12157168
Names & identifiers
- Preferred name
- Barbituric acid, 1-methyl-5-(1-phenethyl)-5-propionyloxy-
- IUPAC
- [1-methyl-2,4,6-trioxo-5-(1-phenylethyl)-1,3-diazinan-5-yl] propanoate
- English name
- 1-Methyl-5-(1-phenylethyl)-5-propionyloxy-2,4,6(1H,3H,5H)-pyrimidinetrione
- Molecular formula
- C16H18N2O5
- Molecular weight
- 318.32
Names & synonyms
37431-42-8Barbituric acid, 1-methyl-5-(1-phenethyl)-5-propionyloxy-RefChem:1077513BRN 07636441-Methyl-5-propionoxy-5-(1-phenylethyl)barbituric acid2,4,6(1H,3H,5H)-Pyrimidinetrione, 1-methyl-5-(1-oxopropoxy)-5-(1-phenylethyl)-SCHEMBL5067243DTXSID109585231-Methyl-5-(1-phenylethyl)-5-propionyloxy-2,4,6(1h,3h,5h)-pyrimidinetrioneDB-2597574-Hydroxy-1-methyl-2,6-dioxo-5-(1-phenylethyl)-1,2,5,6-tetrahydropyrimidin-5-yl propanoate1-Methyl-5-(1-phenylethyl)-5-propionyloxybarbituric acid
Show more names
1-methyl-5-(1-phenyl-ethyl)-5-propionyloxy-pyrimidine-2,4,6-trione
Database identifiers
- CAS
37431-42-8- PubChem CID
- 216565
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 92.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 527
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…