5-Isoamyl-5-propylbarbituric acid
Completing data — refresh the page later to see the latest
Basic information
- CAS
17013-42-2- Standard SMILES
CCCC1(CCC(C)C)C(=O)NC(=O)NC1=O- InChIKey
RDYMEDVXKQMMHS-UHFFFAOYSA-N- Molecular formula
- C12H20N2O3
- Average molar mass
- 240.3 g/mol
- Monoisotopic mass
- 240.1473925
Names & identifiers
- Preferred name
- 5-Isoamyl-5-propylbarbituric acid
- IUPAC
- 5-(3-methylbutyl)-5-propyl-1,3-diazinane-2,4,6-trione
- English name
- 5-(3-Methylbutyl)-5-propylbarbituric acid
- Molecular formula
- C12H20N2O3
- Molecular weight
- 240.3
Names & synonyms
Barbituric acid, 5-isopentyl-5-propyl-2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(3-methylbutyl)-5-propyl-5-Isopentyl-5-propylbarbituric acidG52M4U6CMBNSC 120840BRN 00217455-Isoamyl-5-propylbarbituric acidUNII-G52M4U6CMBNSC-120840DTXSID501688065-24-09-00180 (Beilstein Handbook Reference)5-(3-METHYLBUTYL)-5-PROPYL-2,4,6(1H,3H,5H)-PYRIMIDINETRIONE
Show more names
RefChem:198934DTXCID80912972,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(3-methylbutyl)-5-propyl-(9CI)17013-42-25-(3-methylbutyl)-5-propyl-1,3-diazinane-2,4,6-trione5-(3-Methylbutyl)-5-propylbarbituric acidNSC120840Isoamyl-propyl-barbitursaure
Database identifiers
- CAS
17013-42-2- PubChem CID
- 86905
- DTXSID
DTXSID50168806- ChEMBL
CHEMBL3276726- UNII
- G52M4U6CMB
- Nikkaji
- J54.586D
Properties
Computed structural propertiesFilling in
- 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
- 317
Physicochemical properties
- FDA UNII
- 52 M4U6CMB · G52M4U6CMB
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…