5-Ethyl-1-methyl-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione
Basic information
- CAS
6270-45-7- Standard SMILES
CCC1(CCC(C)C)C(=O)NC(=O)N(C)C1=O- InChIKey
YWIUVCAWUTXGNE-UHFFFAOYSA-N- Molecular formula
- C12H20N2O3
- Average molar mass
- 240.3 g/mol
- Monoisotopic mass
- 240.1473925
Names & identifiers
- Preferred name
- 5-Ethyl-1-methyl-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione
- IUPAC
- 5-ethyl-1-methyl-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione
- English name
- 5-Ethyl-5-isopentyl-1-methylbarbituric acid
- Molecular formula
- C12H20N2O3
- Molecular weight
- 240.3
Names & synonyms
6270-45-75-ethyl-1-methyl-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trioneNSC35526Barbituric acid, 5-ethyl-5-isopentyl-1-methyl-DTXSID30275502NSC-355262,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-1-methyl-5-(3-methylbutyl)-5-Ethyl-1-methyl-5-(3-methylbutyl)pyrimidine-2,4,6(1H,3H,5H)-trioneN-Methylaminobarbital5-Ethyl-5-isopentyl-1-methylbarbituric acid5-Ethyl-5-isopentyl-1-methyl-2,4,6(1H,3H,5H)-pyrimidinetrione2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-1-methyl-5-(3-methylbutyl)-
Database identifiers
- CAS
6270-45-7- PubChem CID
- 46494
- DTXSID
DTXSID30275502- Nikkaji
- J105.553D
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 352
Experimental & physicochemical properties
LogP2.45
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Compound notes
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