Basic information
- CAS
66842-99-7- Standard SMILES
CCCC1(CC(C)CC)C(=O)NC(=O)NC1=O- InChIKey
IHGCUUHZJSCJGN-UHFFFAOYSA-N- Molecular formula
- C12H20N2O3
- Average molar mass
- 240.3 g/mol
- Monoisotopic mass
- 240.1473925
Names & identifiers
- Preferred name
- Barbituric acid, 5-(2-methylbutyl)-5-propyl-
- IUPAC
- 5-(2-methylbutyl)-5-propyl-1,3-diazinane-2,4,6-trione
- English name
- 5-(2-Methylbutyl)-5-propylbarbituric acid
- Molecular formula
- C12H20N2O3
- Molecular weight
- 240.3
Names & synonyms
66842-99-7BARBITURIC ACID, 5-(2-METHYLBUTYL)-5-PROPYL-RefChem:10775925-(2-Methylbutyl)-5-propylbarbituric acidBRN 02284795-(2-methylbutyl)-5-propyl-1,3-diazinane-2,4,6-trioneNSC1208384-24-00-01967 (Beilstein Handbook Reference)CHEMBL3186972DTXSID301384446NSC 120838NSC-120838
Show more names
5-(2-Methylbutyl)-5-propyl-2,4,6(1H,3H,5H)-pyrimidinetrione2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-methylbutyl)-5-propyl-
SMR0017975742,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-methylbutyl)-5-propyl-
Database identifiers
- CAS
66842-99-7- PubChem CID
- 48154
- DTXSID
DTXSID301384446- ChEMBL
CHEMBL3186972- Nikkaji
- J105.735I
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
- 17
- Formal charge
- 0
- Complexity
- 319
Physicochemical properties
- Density
- 1.053 · 1.053±0.06 g/cm3(Predicted)
- pka
- 7.92 · 7.92±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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