Basic information
- CAS
17013-33-1- Standard SMILES
CC(C)C1(Cc2ccccc2)C(=O)NC(=O)NC1=O- InChIKey
UMNUSSWRSRDUIL-UHFFFAOYSA-N- Molecular formula
- C14H16N2O3
- Average molar mass
- 260.29 g/mol
- Monoisotopic mass
- 260.11609238
Names & identifiers
- Preferred name
- Barbituric acid, 5-benzyl-5-isopropyl-
- IUPAC
- 5-benzyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione
- English name
- 5-Isopropyl-5-benzylbarbituric acid
- Molecular formula
- C14H16N2O3
- Molecular weight
- 260.29
Names & synonyms
BARBITURIC ACID, 5-BENZYL-5-ISOPROPYL-BRN 02432885-Benzyl-5-isopropylbarbituric acid17013-33-1DTXSID701688034-24-00-02100 (Beilstein Handbook Reference)RefChem:320779DTXCID30912945-benzyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione5-benzyl-5-(propan-2-yl)-1,3-diazinane-2,4,6-trionepyrimidine-2,4,6(1H,3H,5H)-trione, 5-benzyl-5-isopropyl-5-Isopropyl-5-benzylbarbituric acid
Show more names
5-(1-Methylethyl)-5-(phenylmethyl)barbituric acid2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(1-methylethyl)-5-(phenylmethyl)-
Database identifiers
- CAS
17013-33-1- PubChem CID
- 28200
- DTXSID
DTXSID70168803- Nikkaji
- J54.720D
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 377
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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