Basic information
- CAS
7296-17-5- Standard SMILES
C=CCC1(CCC)C(=O)NC(=O)NC1=O- InChIKey
JLGWSCSPIJQFQK-UHFFFAOYSA-N- Molecular formula
- C10H14N2O3
- Average molar mass
- 210.23 g/mol
- Monoisotopic mass
- 210.10044231
Overview
used therapeutically for psychogenic headache
Names & identifiers
- Preferred name
- Allylpropylmalonylurea
- IUPAC
- 5-prop-2-enyl-5-propyl-1,3-diazinane-2,4,6-trione
Names & synonyms
Allylpropylmalonylurea5-Allyl-5-propylbarbituric acid7296-17-5U0XT064T4RNSC-32302DTXSID30223240RefChem:110918DTXCID30145731Barbituric acid (8CI), 5-allyl-5-propyl-NSC 32302allyl-propyl-barbiturate2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-propen-1-yl)-5-propyl-
Show more names
UNII-U0XT064T4RCHEMBL3276729NSC323022,4,6(1H,3H,5H)-Pyrimidinetrione (9CI), 5-(2-propenyl)-5-propyl-5-(Prop-2-en-1-yl)-5-propyl-1,3-diazinane-2,4,6-trione2,6(1H,3H,5H)-Pyrimidinetrione (9CI), 5-(2-propenyl)-5-propyl-5-(2-PROPEN-1-YL)-5-PROPYL-2,4,6(1H,3H,5H)-PYRIMIDINETRIONE
Database identifiers
- CAS
7296-17-5- PubChem CID
- 48564
- DTXSID
DTXSID30223240- ChEMBL
CHEMBL3276729- UNII
- U0XT064T4R
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 303
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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