Basic information
- CAS
52116-27-5- Standard SMILES
C=CCC1(CC(C)NC2CCCCC2)C(=O)NC(=O)NC1=O- InChIKey
AMNCJCPIBOZGHF-UHFFFAOYSA-N- Molecular formula
- C16H25N3O3
- Average molar mass
- 307.39 g/mol
- Monoisotopic mass
- 307.18959167
Names & identifiers
- Preferred name
- 5-Allyl-5-(2-(cyclohexylamino)propyl)barbituric acid
- IUPAC
- 5-[2-(cyclohexylamino)propyl]-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
Names & synonyms
BRN 09292045-Allyl-5-(2-(cyclohexylamino)propyl)barbituric acid52116-27-5BARBITURIC ACID, 5-ALLYL-5-(2-(CYCLOHEXYLAMINO)PROPYL)-DTXSID809664735-[2-(Cyclohexylamino)propyl]-4,6-dihydroxy-5-(prop-2-en-1-yl)pyrimidin-2(5H)-one
Database identifiers
- CAS
52116-27-5- PubChem CID
- 40238
- DTXSID
DTXSID80966473
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 87.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 449
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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