Basic information
- CAS
839-65-6- Standard SMILES
CC(C)C1C(=O)NC(=O)N(C2CCCCC2)C1=O- InChIKey
AXXCGIMLMVLZKI-UHFFFAOYSA-N- Molecular formula
- C13H20N2O3
- Average molar mass
- 252.31 g/mol
- Monoisotopic mass
- 252.1473925
Names & identifiers
- Preferred name
- Barbituric acid, 1-cyclohexyl-5-isopropyl-
- IUPAC
- 1-cyclohexyl-5-propan-2-yl-1,3-diazinane-2,4,6-trione
- English name
- 1-Cyclohexyl-5-isopropylbarbituric acid
- Molecular formula
- C13H20N2O3
- Molecular weight
- 0
Names & synonyms
839-65-6BARBITURIC ACID, 1-CYCLOHEXYL-5-ISOPROPYL-RefChem:10775061-Cyclohexyl-5-isopropylbarbituric acidBRN 08891141-Cyclohexyl-5-isopropyl-2,4,6(1H,3H,5H)-pyrimidinetrione2,4,6(1H,3H,5H)-Pyrimidinetrione, 1-cyclohexyl-5-isopropyl-DTXSID3010040463-Cyclohexyl-6-hydroxy-5-(propan-2-yl)pyrimidine-2,4(3H,5H)-dione1-cyclohexyl-5-isopropyl-pyrimidine-2,4,6-trione
Database identifiers
- CAS
839-65-6- PubChem CID
- 13285
- DTXSID
DTXSID301004046- Nikkaji
- J54.738G
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 372
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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