Basic information
- CAS
53943-63-8- Standard SMILES
CCCCC1(C(C)C)C(=O)NC(=O)NC1=O- InChIKey
TZEHVHWISALEFS-UHFFFAOYSA-N- Molecular formula
- C11H18N2O3
- Average molar mass
- 226.27 g/mol
- Monoisotopic mass
- 226.13174244
Names & identifiers
- Preferred name
- Barbituric acid, 5-butyl-5-isopropyl-
- IUPAC
- 5-butyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione
Names & synonyms
n-Butylisopropylbarbituric acidBARBITURIC ACID, 5-BUTYL-5-ISOPROPYL-5-Butyl-5-isopropylbarbituric acid53943-63-8NSC 120797BRN 02093582,4,6(1H,3H,5H)-Pyrimidinetrione, 5-butyl-5-(1-methylethyl)-DTXSID302022325-24-09-00178 (Beilstein Handbook Reference)RefChem:320793DTXCID30124723CHEMBL3276730
Show more names
NSC120797NSC-1207975-Butyl-5-(propan-2-yl)-1,3-diazinane-2,4,6-trione
Database identifiers
- CAS
53943-63-8- PubChem CID
- 40952
- DTXSID
DTXSID30202232- ChEMBL
CHEMBL3276730
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 303
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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