Basic information
- CAS
66941-94-4- Standard SMILES
CCCCC1(Cc2ccccc2)C(=O)NC(=O)NC1=O- InChIKey
XDNQMQVXDKJOET-UHFFFAOYSA-N- Molecular formula
- C15H18N2O3
- Average molar mass
- 274.31 g/mol
- Monoisotopic mass
- 274.13174244
Names & identifiers
- Preferred name
- Benzylbutylbarbiturate
- IUPAC
- 5-benzyl-5-butyl-1,3-diazinane-2,4,6-trione
- English name
- 5-Benzyl-5-butyl-2,4,6(1H,3H,5H)-pyrimidinetrione
- Molecular formula
- C15H18N2O3
- Molecular weight
- 274.32
Names & synonyms
Benzylbutylbarbiturate5-Benzyl-5-butylbarbituric acidBRN 02765649MU2ZSJ2VYBARBITURIC ACID, 5-BENZYL-5-BUTYL-DTXSID402171354-24-00-02102 (Beilstein Handbook Reference)5-BENZYL-5-BUTYL-BARBITURIC ACID5-BENZYL-5-N-BUTYLBARBITURIC ACID2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-butyl-5-(phenylmethyl)-5-BUTYL-5-(PHENYLMETHYL)-2,4,6(1H,3H,5H)-PYRIMIDINETRIONERefChem:118932
Show more names
5-Benzyl-5-butyl-2,4,6(1H,3H,5H)-pyrimidinetrione
DTXCID4013962666941-94-45-benzyl-5-butyl-1,3-diazinane-2,4,6-trioneUNII-9MU2ZSJ2VYSCHEMBL18344443SCHEMBL20394107Q4890818pyrimidine-2,4,6(1H,3H,5H)-trione, 5-benzyl-5-butyl-
Database identifiers
- CAS
66941-94-4- PubChem CID
- 48575
- DTXSID
DTXSID40217135- UNII
- 9MU2ZSJ2VY
- Nikkaji
- J93.473I
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 380
Physicochemical properties
- FDA UNII
- 9 MU2ZSJ2VY · 9MU2ZSJ2VY
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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