Basic information
- CAS
67051-44-9- Standard SMILES
C=C(C)CC1(CC(C)CC)C(=O)NC(=O)NC1=O- InChIKey
SMBGSAMZDKKZDL-UHFFFAOYSA-N- Molecular formula
- C13H20N2O3
- Average molar mass
- 252.31 g/mol
- Monoisotopic mass
- 252.1473925
Names & identifiers
- Preferred name
- 5-(2-Methylbutyl)-5-(2-methylprop-2-enyl)-1,3-diazinane-2,4,6-trione
- IUPAC
- 5-(2-methylbutyl)-5-(2-methylprop-2-enyl)-1,3-diazinane-2,4,6-trione
- English name
- 5-(2-Methyl-2-propenyl)-5-(2-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
- Molecular formula
- C13H20N2O3
- Molecular weight
- 252.31
Names & synonyms
DTXSID702755415-(2-methylbutyl)-5-(2-methylprop-2-enyl)-1,3-diazinane-2,4,6-trione67051-44-9RefChem:299509DTXCID702269775-(2-methylbutyl)-5-(2-methylprop-2-en-1-yl)-1,3-diazinane-2,4,6-trionepyrimidine-2,4,6(1H,3H,5H)-trione, 5-(2-methylallyl)-5-(2-methylbutyl)-5-(2-Methyl-2-propenyl)-5-(2-methylbutyl)barbituric acid5-(2-Methyl-2-propenyl)-5-(2-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-methylbutyl)-5-(2-methyl-2-propen-1-yl)-
Database identifiers
- CAS
67051-44-9- PubChem CID
- 49313
- DTXSID
DTXSID70275541- Nikkaji
- J105.711A
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 381
Physicochemical properties
- Density
- 1.053 · 1.053±0.06 g/cm3(Predicted)
- pka
- 7.81 · 7.81±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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