Basic information
- CAS
57562-99-9- Standard SMILES
CCCC(C)C1(CC)C(=O)NC(=O)N(C)C1=O- InChIKey
OIIGBIYLGSWNKY-UHFFFAOYSA-N- Molecular formula
- C12H20N2O3
- Average molar mass
- 240.3 g/mol
- Monoisotopic mass
- 240.1473925
Names & identifiers
- Preferred name
- Barbituric acid,5(1mebu)-5-ET-1-ME
- IUPAC
- 5-ethyl-1-methyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione
- English name
- 5-Ethyl-1-methyl-5-(1-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
- Molecular formula
- C12H20N2O3
- Molecular weight
- 240.3
Names & synonyms
57562-99-9DTXSID40874368RefChem:1077729DTXCID801012496BARBITURIC ACID,5(1MEBU)-5-ET-1-MEN-MethylpentobarbitalBARBITURIC ACID, 5-ETHYL-1-METHYL-5-(1-METHYLBUTYL)-5-Ethyl-1-methyl-5-(1-methylbutyl)barbituric acid2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-1-methyl-5-(1-methylbutyl)-5-Ethyl-1-methyl-5-(1-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrioneBRN 0225599NSC30447
Show more names
5-24-09-00170 (Beilstein Handbook Reference)SCHEMBL10281707OIIGBIYLGSWNKY-UHFFFAOYSA-N5-ethyl-1-methyl-5-(pentan-2-yl)-1,3-diazinane-2,4,6-trioneNSC 30447NSC-30447NSC126538NSC-126538
Database identifiers
- CAS
57562-99-9- PubChem CID
- 42472
- DTXSID
DTXSID40874368- Nikkaji
- J105.597F
Properties
Computed structural properties
- XLogP
- 2.4
- 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
- 354
Experimental & physicochemical properties
LogP2.45
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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