Basic information
- CAS
22283-10-9- Standard SMILES
Cn1c(N)c(C(=O)c2ccccc2)c(=O)n(C)c1=O- InChIKey
JGBATMBLVOPHCU-UHFFFAOYSA-N- Molecular formula
- C13H13N3O3
- Average molar mass
- 259.26 g/mol
- Monoisotopic mass
- 259.09569129
Names & identifiers
- Preferred name
- 5-Benzoyl-6-amino-1,3-dimethyluracil
- IUPAC
- 6-amino-5-benzoyl-1,3-dimethylpyrimidine-2,4-dione
- English name
- 5-Benzoyl-6-amino-1,3-dimethyluracil
- Molecular formula
- C13H13N3O3
- Molecular weight
- 259.26
Names & synonyms
5-Benzoyl-6-amino-1,3-dimethyluracil22283-10-96-amino-5-benzoyl-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione6-amino-5-benzoyl-1,3-dimethylpyrimidine-2,4-dioneNSC279491Oprea1_417627MLS000539169CHEMBL1893145DTXSID603139866-Amino-5-benzoyl-1,3-dimethylpyrimidine-2,4(1H,3H)-dioneHMS2274L24NSC-279491
Show more names
2,4(1H,3H)-Pyrimidinedione, 6-amino-5-benzoyl-1,3-dimethyl-
SMR000162663DB-083043AB-323/13887017
Database identifiers
- CAS
22283-10-9- PubChem CID
- 322349
- DTXSID
DTXSID60313986- ChEMBL
CHEMBL1893145- Nikkaji
- J2.740.748J
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 83.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 464
Physicochemical properties
- Melting point
- 258 °C · 258 °C
- Boiling point
- 364.3 · 364.3±52.0 °C(Predicted)
- Density
- 1.326 · 1.326±0.06 g/cm3(Predicted)
- pka
- 2.7 · 2.70±0.70(Predicted)
Chemistry & industry
Suppliers2 total
SPECS[email protected]
SYNCHEM-OHG[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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