Barbituric acid, 5-methyl-5-(1-methylpentyl)-
Basic information
- CAS
66843-05-8- Standard SMILES
CCCCC(C)C1(C)C(=O)NC(=O)NC1=O- InChIKey
GYXUDHNPGGSBBA-UHFFFAOYSA-N- Molecular formula
- C11H18N2O3
- Average molar mass
- 226.27 g/mol
- Monoisotopic mass
- 226.13174244
Names & identifiers
- Preferred name
- Barbituric acid, 5-methyl-5-(1-methylpentyl)-
- IUPAC
- 5-hexan-2-yl-5-methyl-1,3-diazinane-2,4,6-trione
- English name
- 5-Methyl-5-(1-methylpentyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
- Molecular formula
- C11H18N2O3
- Molecular weight
- 226.27
Names & synonyms
66843-05-8BARBITURIC ACID, 5-METHYL-5-(1-METHYLPENTYL)-RefChem:10777185-Methyl-5-(1-methylpentyl)barbituric acidBRN 0210120NSC125762DTXSID00985449NSC-1257625-(Hexan-2-yl)-4,6-dihydroxy-5-methylpyrimidin-2(5H)-one5-Methyl-5-(1-methylpentyl)-2,4,6(1H,3H,5H)-pyrimidinetrione2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-methyl-5-(1-methylpentyl)-
Database identifiers
- CAS
66843-05-8- PubChem CID
- 48160
- DTXSID
DTXSID00985449- Nikkaji
- J105.742A
Properties
Computed structural properties
- XLogP
- 2.2
- 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
- 305
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