Basic information
- CAS
93150-57-3- Standard SMILES
CCOc1ccc(N2C(=O)NC(=O)C(N(CC)CC)C2=O)cc1- InChIKey
PQIPVVMTMPIXBZ-UHFFFAOYSA-N- Molecular formula
- C16H21N3O4
- Average molar mass
- 319.36 g/mol
- Monoisotopic mass
- 319.15320616
Names & identifiers
- Preferred name
- Barbituric acid, 5-(diethylamino)-1-(p-ethoxyphenyl)-
- IUPAC
- 5-(diethylamino)-1-(4-ethoxyphenyl)-1,3-diazinane-2,4,6-trione
Names & synonyms
93150-57-3BARBITURIC ACID, 5-(DIETHYLAMINO)-1-(p-ETHOXYPHENYL)-RefChem:1077598BRN 09333705-(Diethylamino)-1-(p-ethoxyphenyl)barbituric acidDTXSID109186475-(Diethylamino)-3-(4-ethoxyphenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione
Database identifiers
- CAS
93150-57-3- PubChem CID
- 56571
- DTXSID
DTXSID10918647- Nikkaji
- J62.440C
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 79 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 456
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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