Basic information
- CAS
288102-94-3- Standard SMILES
CC1(c2ccc(Oc3ccccc3)cc2)C(=O)NC(=O)NC1=O- InChIKey
RTBMLCLTYAPKIF-UHFFFAOYSA-N- Molecular formula
- C17H14N2O4
- Average molar mass
- 310.3 g/mol
- Monoisotopic mass
- 310.09535693
Overview
5-methyl-5-(4-phenoxyphenyl)barbituric acid is a member of barbiturates.
Names & identifiers
- Preferred name
- 5-Methyl-5-(4-Phenoxy-Phenyl)-Pyrimidine-2,4,6-Trione
- IUPAC
- 5-methyl-5-(4-phenoxyphenyl)-1,3-diazinane-2,4,6-trione
Names & synonyms
5-methyl-5-(4-phenoxy-phenyl)-pyrimidine-2,4,6-trioneDTXSID10274336RefChem:537175DTXCID40225816288102-94-35-methyl-5-(4-phenoxyphenyl)-1,3-diazinane-2,4,6-trioneCHEMBL176467HQQ5-methyl-5-(4-phenoxyphenyl)barbituric acid2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-methyl-5-(4-phenoxyphenyl)-4MPM14604G5-methyl-5-(4-phenoxyphenyl) pyrimidine-2,4,6-trione
Show more names
5-methyl-5-(4-phenoxyphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione1g4kUNII-4MPM14604GSCHEMBL4321603CHEBI:43179BDBM50099118DB03368PD007046
Database identifiers
- CAS
288102-94-3- PubChem CID
- 1836
- DTXSID
DTXSID10274336- ChEMBL
CHEMBL176467- ChEBI
CHEBI:43179- UNII
- 4MPM14604G
- Nikkaji
- J1.522.389H
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 84.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 471
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Endocrine DisruptorsPotential endocrine disrupting compound
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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