Basic information
- CAS
67050-93-5- Standard SMILES
CC=C(CC)C1(CCC)C(=O)NC(=O)N(C)C1=O- InChIKey
HDVREBLECKLEQI-UHFFFAOYSA-N- Molecular formula
- C13H20N2O3
- Average molar mass
- 252.31 g/mol
- Monoisotopic mass
- 252.1473925
Names & identifiers
- Preferred name
- 6-Hydroxy-3-methyl-5-(pent-2-en-3-yl)-5-propylpyrimidine-2,4(3H,5H)-dione
- IUPAC
- 1-methyl-5-pent-2-en-3-yl-5-propyl-1,3-diazinane-2,4,6-trione
Names & synonyms
DTXSID309860656-Hydroxy-3-methyl-5-(pent-2-en-3-yl)-5-propylpyrimidine-2,4(3H,5H)-dione
Database identifiers
- CAS
67050-93-5- PubChem CID
- 98419
- DTXSID
DTXSID30986065
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 414
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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