Barbituric acid, 5-sec-butyl-5-(3-methyl-2-butenyl)-
Basic information
- CAS
67050-47-9- Standard SMILES
CCC(C)C1(CC=C(C)C)C(=O)NC(=O)NC1=O- InChIKey
QVSDEDYPNZQZAM-UHFFFAOYSA-N- Molecular formula
- C13H20N2O3
- Average molar mass
- 252.31 g/mol
- Monoisotopic mass
- 252.1473925
Names & identifiers
- Preferred name
- Barbituric acid, 5-sec-butyl-5-(3-methyl-2-butenyl)-
- IUPAC
- 5-butan-2-yl-5-(3-methylbut-2-enyl)-1,3-diazinane-2,4,6-trione
- English name
- 5-sec-Butyl-5-(3-methyl-2-butenyl)barbituric acid
- Molecular formula
- C13H20N2O3
- Molecular weight
- 252.31
Names & synonyms
67050-47-9BARBITURIC ACID, 5-sec-BUTYL-5-(3-METHYL-2-BUTENYL)-RefChem:1077725BRN 02341725-sec-Butyl-5-(3-methyl-2-butenyl)barbituric acidDTXSID309860455-(Butan-2-yl)-4,6-dihydroxy-5-(3-methylbut-2-en-1-yl)pyrimidin-2(5H)-one5-sec-butyl-5-(3-methyl-but-2-enyl)-barbituric acid5-sec-Butyl-5-(3-methyl-2-butenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(3-methyl-2-buten-1-yl)-5-(1-methylpropyl)-
Database identifiers
- CAS
67050-47-9- PubChem CID
- 49203
- DTXSID
DTXSID30986045- Nikkaji
- J93.563H
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 388
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Compound notes
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