Barbituric acid, 5-sec-butyl-1,3-dimethyl-
Basic information
- CAS
7391-63-1- Standard SMILES
CCC(C)C1C(=O)N(C)C(=O)N(C)C1=O- InChIKey
LXEIFFQUCUFHQP-UHFFFAOYSA-N- Molecular formula
- C10H16N2O3
- Average molar mass
- 212.25 g/mol
- Monoisotopic mass
- 212.11609238
Names & identifiers
- Preferred name
- Barbituric acid, 5-sec-butyl-1,3-dimethyl-
- IUPAC
- 5-butan-2-yl-1,3-dimethyl-1,3-diazinane-2,4,6-trione
- English name
- 5-sec-Butyl-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
- Molecular weight
- 0
Names & synonyms
BARBITURIC ACID, 5-sec-BUTYL-1,3-DIMETHYL-RefChem:10777217391-63-15-sec-Butyl-1,3-dimethylbarbituric acidNSC 128101BRN 01957605-butan-2-yl-1,3-dimethyl-1,3-diazinane-2,4,6-trioneNSC1281012,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-dimethyl-5-(1-methylpropyl)-4-24-00-01900 (Beilstein Handbook Reference)SCHEMBL1264134DTXSID201381506
Show more names
1,3-Dimethyl-5-sec-butylbarbituric acid5-sec-Butyl-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
NSC-1281012,6(1H,3H,5H)-Pyrimidinetrione, 1,3-dimethyl-5-(1-methylpropyl)-
Database identifiers
- CAS
7391-63-1- PubChem CID
- 23875
- DTXSID
DTXSID201381506- Nikkaji
- J14.775C
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 57.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 290
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Related reactions
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Compound notes
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