5-[(1,3-benzodioxol-5-ylamino)methylene]-1-(2-methylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
Basic information
- CAS
5396-17-8- Standard SMILES
Cc1ccccc1-n1c(O)c(C=Nc2ccc3c(c2)OCO3)c(=O)[nH]c1=O- InChIKey
BAQJGCPECGZWDV-UHFFFAOYSA-N- Molecular formula
- C19H15N3O5
- Average molar mass
- 365.3 g/mol
- Monoisotopic mass
- 365.10117059
Names & identifiers
- Preferred name
- 5-[(1,3-benzodioxol-5-ylamino)methylene]-1-(2-methylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
- IUPAC
- 5-(1,3-benzodioxol-5-yliminomethyl)-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione
Names & synonyms
MLS0001063955396-17-85-[(1,3-benzodioxol-5-ylamino)methylene]-1-(2-methylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrioneCBMicro_020010CHEMBL1333652DTXSID50415488HMS2466B20CCG-7984AKOS0159525765-(1,3-Benzodioxol-5-yliminomethyl)-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dioneSMR000103362BIM-0019971.P001
Show more names
SR-01000207801SR-01000207801-1(5Z)-5-{[(2H-1,3-Benzodioxol-5-yl)amino]methylidene}-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione
Database identifiers
- CAS
5396-17-8- PubChem CID
- 1379809
- DTXSID
DTXSID50415488- ChEMBL
CHEMBL1333652
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 676
Related reactions
0 records
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Compound notes
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