Basic information
- CAS
102585-91-1- Standard SMILES
CC(C)C1(CC(O)CI)C(=O)NC(=O)NC1=O- InChIKey
IBXFSFRDJYTSHK-UHFFFAOYSA-N- Molecular formula
- C10H15IN2O4
- Average molar mass
- 354.14 g/mol
- Monoisotopic mass
- 354.00765
Names & identifiers
- Preferred name
- Barbituric acid, 5-(2-hydroxy-3-iodopropyl)-5-isopropyl-
- IUPAC
- 5-(2-hydroxy-3-iodopropyl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione
- English name
- 5-(2-Hydroxy-3-iodopropyl)-5-isopropyl-2,4,6(1H,3H,5H)-pyrimidinetrione
- Molecular formula
- C10H15IN2O4
- Molecular weight
- 354.14
Names & synonyms
102585-91-1BARBITURIC ACID, 5-(2-HYDROXY-3-IODOPROPYL)-5-ISOPROPYL-RefChem:1077585BRN 02554535-(2-Hydroxy-3-iodopropyl)-5-isopropylbarbituric acid5-(2-hydroxy-3-iodopropyl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione5-(2-Hydroxy-3-iodopropyl)-5-isopropyl-2,4,6(1H,3H,5H)-pyrimidinetrioneKwas 5-izopropylo-5-(beta-hydroksy-gamma-jodo-propylo)barbiturowy [Polish]4-25-00-00448 (Beilstein Handbook Reference)DTXSID80907886Kwas 5-izopropylo-5-(beta-hydroksy-gamma-jodo-propylo)barbiturowy4,6-Dihydroxy-5-(2-hydroxy-3-iodopropyl)-5-(propan-2-yl)pyrimidin-2(5H)-one
Show more names
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-hydroxy-3-iodopropyl)-5-(1-methylethyl)-
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 95.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 336
Physicochemical properties
- Melting point
- 215 · 215-217 °C (decomp)(Solv: ethanol (64-17-5))
- Density
- 1.691 · 1.691±0.06 g/cm3(Predicted)
- pka
- 7.77 · 7.77±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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