Basic information
- CAS
739-49-1- Standard SMILES
CC1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O- InChIKey
ILCHAUPJKKIXPX-UHFFFAOYSA-N- Molecular formula
- C17H26N2O3
- Average molar mass
- 306.4 g/mol
- Monoisotopic mass
- 306.1943427
Names & identifiers
- Preferred name
- Barbituric acid, 1,3-dicyclohexyl-5-methyl-
- IUPAC
- 1,3-dicyclohexyl-5-methyl-1,3-diazinane-2,4,6-trione
- English name
- 1,3-Dicyclohexyl-5-methylbarbituric acid
- Molecular formula
- C17H26N2O3
- Molecular weight
- 306.4
Names & synonyms
1,3-Dicyclohexyl-5-methylbarbituric acidBRN 0689988739-49-1BARBITURIC ACID, 1,3-DICYCLOHEXYL-5-METHYL-1,3-Dicyclohexyl-5-methyl-2,4,6(1H,3H,5H)-pyrimidinetrione2,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-dicyclohexyl-5-methyl-DTXSID902244755-24-09-00117 (Beilstein Handbook Reference)RefChem:320606DTXCID901469661,3-dicyclohexyl-5-methyl-1,3-diazinane-2,4,6-trioneSCHEMBL15744622
Database identifiers
- CAS
739-49-1- PubChem CID
- 12922
- DTXSID
DTXSID90224475- Nikkaji
- J54.558I
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 57.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 425
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…