Basic information
- CAS
100251-48-7- Standard SMILES
CCCC(C)C1(CC(O)CI)C(=O)NC(=O)NC1=O- InChIKey
XIJVVQODFOPLDI-UHFFFAOYSA-N- Molecular formula
- C12H19IN2O4
- Average molar mass
- 382.19 g/mol
- Monoisotopic mass
- 382.03895
Names & identifiers
- Preferred name
- Barbituric acid, 5-(2-hydroxy-3-iodopropyl)-5-(1-methylbutyl)-
- IUPAC
- 5-(2-hydroxy-3-iodopropyl)-5-pentan-2-yl-1,3-diazinane-2,4,6-trione
Names & synonyms
100251-48-7BARBITURIC ACID, 5-(2-HYDROXY-3-IODOPROPYL)-5-(1-METHYLBUTYL)-RefChem:1077584BRN 02775035-(2-Hydroxy-3-iodopropyl)-5-(1-methylbutyl)barbituric acidKwas 5-(alpha-metylo-butylo-)-5-(beta-hydroksy-gamma-jodo-propylo)-barbiturowy [Polish]SCHEMBL10445777DTXSID10905299Kwas 5-(alpha-metylo-butylo-)-5-(beta-hydroksy-gamma-jodo-propylo)-barbiturowy4,6-Dihydroxy-5-(2-hydroxy-3-iodopropyl)-5-(pentan-2-yl)pyrimidin-2(5H)-one
Database identifiers
- CAS
100251-48-7- PubChem CID
- 57664
- DTXSID
DTXSID10905299- Nikkaji
- J105.667K
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 95.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 366
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…