Basic information
- CAS
59547-54-5- Standard SMILES
C=CCC1(C(C)CCC)C(=O)NC(=O)N(C)C1=O- InChIKey
MIBYOIHMKQTMKM-UHFFFAOYSA-N- Molecular formula
- C13H20N2O3
- Average molar mass
- 252.31 g/mol
- Monoisotopic mass
- 252.1473925
Names & identifiers
- Preferred name
- Barbituric acid, 5-allyl-1-methyl-5-(1-methylbutyl)-
- IUPAC
- 1-methyl-5-pentan-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
- English name
- 5-Allyl-1-methyl-5-(1-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
- Molecular formula
- C13H20N2O3
- Molecular weight
- 252.31
Names & synonyms
59547-54-5BARBITURIC ACID, 5-ALLYL-1-METHYL-5-(1-METHYLBUTYL)-RefChem:1077607BRN 00881645-Allyl-1-methyl-5-(1-methylbutyl)barbituric acid4-24-00-02014 (Beilstein Handbook Reference)DTXSID009749546-Hydroxy-3-methyl-5-(pentan-2-yl)-5-(prop-2-en-1-yl)pyrimidine-2,4(3H,5H)-dione5-Allyl-1-methyl-5-(1-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione2,4,6(1H,3H,5H)-Pyrimidinetrione, 1-methyl-5-(1-methylbutyl)-5-(2-propen-1-yl)-
Database identifiers
- CAS
59547-54-5- PubChem CID
- 43044
- DTXSID
DTXSID00974954- Nikkaji
- J93.452F
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 392
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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