Basic information
- CAS
52944-65-7- Standard SMILES
CCCC(C)C1(C)C(=O)NC(=O)NC1=O- InChIKey
IMOLACLDLQJJNZ-UHFFFAOYSA-N- Molecular formula
- C10H16N2O3
- Average molar mass
- 212.25 g/mol
- Monoisotopic mass
- 212.11609238
Names & identifiers
- Preferred name
- 5-Methyl-5-(1-methylbutyl)barbituric acid
- IUPAC
- 5-methyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione
Names & synonyms
5-Methyl-5-(1-methylbutyl)barbituric acid52944-65-7NSC-27276FZU79N757U5-METHYL-5-(1-METHYLBUTYL)-2,4,6(1H,3H,5H)-PYRIMIDINETRIONEPENTOBARBITAL IMPURITY D [EP IMPURITY]PENTOBARBITAL SODIUM IMPURITY D [EP IMPURITY]PENTOBARBITAL IMPURITY D (EP IMPURITY)PENTOBARBITAL SODIUM IMPURITY D (EP IMPURITY)RefChem:198953BARBITURIC ACID, 5-METHYL-5-(1-METHYLBUTYL)-, SODIUM SALTBarbituric acid, 5-methyl-5-(1-methylbutyl)-
Show more names
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-methyl-5-(1-methylbutyl)-NSC27276DB-3068142,6(1H,3H,5H)-Pyrimidinetrione, 5-methyl-5-(1-methylbutyl)-
Database identifiers
- CAS
52944-65-7- PubChem CID
- 40592
- UNII
- FZU79N757U
- Nikkaji
- J105.739A
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 292
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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