Barbituric acid, 5-(2-bromoallyl)-5-propyl-
Basic information
- CAS
91062-54-3- Standard SMILES
C=C(Br)CC1(CCC)C(=O)NC(=O)NC1=O- InChIKey
ISWRUGBQYRDOGS-UHFFFAOYSA-N- Molecular formula
- C10H13BrN2O3
- Average molar mass
- 289.13 g/mol
- Monoisotopic mass
- 288.01095
Names & identifiers
- Preferred name
- Barbituric acid, 5-(2-bromoallyl)-5-propyl-
- IUPAC
- 5-(2-bromoprop-2-enyl)-5-propyl-1,3-diazinane-2,4,6-trione
Names & synonyms
BARBITURIC ACID, 5-(2-BROMOALLYL)-5-PROPYL-91062-54-3DTXSID50238396RefChem:1077557DTXCID701608875-(2-Bromoallyl)-5-propylbarbituric acid5-(n-Propyl)-5-(2-bromoallyl)barbituric acidBRN 0532996Brallobarbital, dihydro-ISWRUGBQYRDOGS-UHFFFAOYSA-N5-(2-bromoprop-2-en-1-yl)-5-propyl-1,3-diazinane-2,4,6-trione5-(2-Bromo-2-propenyl)-5-propyl-hexahydropyrimidin-2,4,6-trione
Show more names
5-(2-Bromo-2-propenyl)-5-propyl-2,4,6(1H,3H,5H)-pyrimidinetrione #
Database identifiers
- CAS
91062-54-3- PubChem CID
- 56167
- DTXSID
DTXSID50238396- Nikkaji
- J62.424A
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 345
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Compound notes
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