5-(2-Bromo-2-propen-1-yl)-5-(1-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
Basic information
- CAS
1216-40-6- Standard SMILES
C=C(Br)CC1(C(C)CCC)C(=O)NC(=O)NC1=O- InChIKey
ZGVCLZRQOUEZHG-UHFFFAOYSA-N- Molecular formula
- C12H17BrN2O3
- Average molar mass
- 317.18 g/mol
- Monoisotopic mass
- 316.04225
Names & identifiers
- Preferred name
- 5-(2-Bromo-2-propen-1-yl)-5-(1-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
- IUPAC
- 5-(2-bromoprop-2-enyl)-5-pentan-2-yl-1,3-diazinane-2,4,6-trione
- English name
- 5-(2-bromoallyl)-5-(1-methylbutyl)-1H,3H,5H-pyrimidine-2,4,6-trione
- Molecular formula
- C12H17BrN2O3
- Molecular weight
- 317.17898
Names & synonyms
Sigmodal1216-40-68N609W64JZDTXSID90874338RefChem:1072370DTXCID7010124675-(2-Bromo-2-propen-1-yl)-5-(1-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione214-932-25-(2-Bromoallyl)-5-(1-methylbutyl)-1H,3H,5H-pyrimidine-2,4,6-trione2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-bromo-2-propenyl)-5-(1-methylbutyl)-5-(.beta.-Bromoallyl)-5-(1-methylbutyl)barbituric acidRecton
Show more names
R-239-Oxide Mixture-Oxide and (1’-uridylyl]-L-alanine 1-Methylethyl Ester-uridylyl]-L-alanine-d5 1-Methylethyl Ester-O-desmethyl Tamsulosin Hydrochloride|(Impurity)5-(β-Bromoallyl)-5-(1-methylbutyl)barbituric acid-O-desmethyl Tamsulosin-D3 Hydrochloride|(Impurity)
5-(2-bromoprop-2-enyl)-5-pentan-2-yl-1,3-diazinane-2,4,6-trioneUNII-8N609W64JZEINECS 214-932-2Barbituric acid, 5-(2-bromoallyl)-5-(1-methylbutyl)-SCHEMBL293738045-(2-BROMOALLYL)-5-(1-METHYLBUTYL) BARBITURIC ACID5-(2-bromoprop-2-en-1-yl)-5-(pentan-2-yl)-1,3-diazinane-2,4,6-trioneNS00010480
Database identifiers
- CAS
1216-40-6- PubChem CID
- 14630
- DTXSID
DTXSID90874338- UNII
- 8N609W64JZ
- EC Number
- 214-932-2
- Nikkaji
- J110.727E
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 386
Experimental & physicochemical properties
LogP2.09
Physicochemical properties
- FDA UNII
- 8 N609W64JZ · 8N609W64JZ
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Compound notes
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