Basic information
- CAS
7391-65-3- Standard SMILES
CN1C(=O)C(C2CCCCC2)C(=O)N(C)C1=O- InChIKey
ANBKBYQJFJUEBR-UHFFFAOYSA-N- Molecular formula
- C12H18N2O3
- Average molar mass
- 238.28 g/mol
- Monoisotopic mass
- 238.13174244
Names & identifiers
- Preferred name
- 5-Cyclohexyl-1,3-dimethylbarbituric acid
- IUPAC
- 5-cyclohexyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione
- English name
- 1,3-Dimethyl-5-cyclohexylbarbituric acid
- Molecular weight
- 0
Names & synonyms
BARBITURIC ACID, 5-CYCLOHEXYL-1,3-DIMETHYL-5-Cyclohexyl-1,3-dimethylbarbituric acid7391-65-3IN1I2HS403NSC-1208242,4,6(1H,3H,5H)-Pyrimidinetrione, 5-cyclohexyl-1,3-dimethyl-DTXSID60224503RefChem:1072822DTXCID20146994MLS0027070805-cyclohexyl-1,3-dimethyl-1,3-diazinane-2,4,6-trioneNSC 120824
Show more names
1,3-Dimethyl-5-cyclohexylbarbituric acid
BRN 0242570NSC120824UNII-IN1I2HS403SCHEMBL12633445-CYCLOHEXYL-1,3-DIMETHYL-2,4,6(1H,3H,5H)-PYRIMIDINETRIONESMR001574475DS-0097182,6(1H,3H,5H)-Pyrimidinetrione, 5-cyclohexyl-1,3-dimethyl-
Database identifiers
- CAS
7391-65-3- PubChem CID
- 23876
- DTXSID
DTXSID60224503- UNII
- IN1I2HS403
- Nikkaji
- J14.780J
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 57.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 337
Physicochemical properties
- FDA UNII
- 1 I2HS403 · IN1I2HS403
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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