Basic information
- CAS
25860-53-1- Standard SMILES
CC(O)CC1(c2ccccc2)C(=O)NC(=O)NC1=O- InChIKey
AVAMLOLQCXVPQH-UHFFFAOYSA-N- Molecular formula
- C13H14N2O4
- Average molar mass
- 262.26 g/mol
- Monoisotopic mass
- 262.09535693
Names & identifiers
- Preferred name
- Barbituric acid, 5-(2-hydroxypropyl)-5-phenyl-
- IUPAC
- 5-(2-hydroxypropyl)-5-phenyl-1,3-diazinane-2,4,6-trione
Names & synonyms
25860-53-1Barbituric acid, 5-(2-hydroxypropyl)-5-phenyl-RefChem:10775875-(2-Hydroxypropyl)-5-phenylbarbituric acidNSC 280799BRN 0283795Acide 5-phenyl-5-hydroxypropylbarbiturique [French]NSC280799Acide 5-phenyl-5-hydroxypropylbarbituriqueKwas 5-fenylo-5-(beta-hydroksy-propylo)-barbiturowy [Polish]Kwas 5-fenylo-5-(beta-hydroksy-propylo)-barbiturowyNSC-280799
Show more names
DS-0035702,4,6(1H,3H,5H)-PYRIMIDINETRIONE,5-(2-HYDROXYPROPYL)-5-PHENYL-
Database identifiers
- CAS
25860-53-1- PubChem CID
- 100280
- Nikkaji
- J105.670K
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 95.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 381
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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