5-(2-Methylprop-2-en-1-yl)-5-pentylpyrimidine-2,4,6(1H,3H,5H)-trione
Basic information
- CAS
67051-51-8- Standard SMILES
C=C(C)CC1(CCCCC)C(=O)NC(=O)NC1=O- InChIKey
PGKJUSBLYPVEGE-UHFFFAOYSA-N- Molecular formula
- C13H20N2O3
- Average molar mass
- 252.31 g/mol
- Monoisotopic mass
- 252.1473925
Names & identifiers
- Preferred name
- 5-(2-Methylprop-2-en-1-yl)-5-pentylpyrimidine-2,4,6(1H,3H,5H)-trione
- IUPAC
- 5-(2-methylprop-2-enyl)-5-pentyl-1,3-diazinane-2,4,6-trione
- English name
- 5-(2-Methyl-2-propenyl)-5-pentylbarbituric acid
- Molecular weight
- 0
Names & synonyms
67051-51-8DTXSID302755425-(2-methylprop-2-en-1-yl)-5-pentyl-1,3-diazinane-2,4,6-trione5-(2-Methylprop-2-en-1-yl)-5-pentylpyrimidine-2,4,6(1H,3H,5H)-trione5-(2-Methyl-2-propenyl)-5-pentylbarbituric acid5-(2-Methyl-2-propenyl)-5-pentyl-2,4,6(1H,3H,5H)-pyrimidinetrione
Database identifiers
- CAS
67051-51-8- PubChem CID
- 49318
- DTXSID
DTXSID30275542- Nikkaji
- J105.718I
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 368
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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