(5E)-1-(3-bromophenyl)-5-(4-methoxy-2-methylbenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Basic information
- CAS
5995-20-0- Standard SMILES
COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)c(C)c1- InChIKey
KYCATNCMRCKFHQ-CXUHLZMHSA-N- Molecular formula
- C19H15BrN2O4
- Average molar mass
- 415.2 g/mol
- Monoisotopic mass
- 414.02152
Names & identifiers
- Preferred name
- (5E)-1-(3-bromophenyl)-5-(4-methoxy-2-methylbenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
- IUPAC
- (5E)-1-(3-bromophenyl)-5-[(4-methoxy-2-methylphenyl)methylidene]-1,3-diazinane-2,4,6-trione
Names & synonyms
ZINC1203658STK0545365995-20-0DTXSID10362101MFCD02044632ZINC01203658AKOS000606018(5E)-1-(3-bromophenyl)-5-(4-methoxy-2-methylbenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione(5E)-1-(3-bromophenyl)-5-[(4-methoxy-2-methylphenyl)methylidene]-1,3-diazinane-2,4,6-trioneBIM-0040160.P001ZINC000001203658ST50248286
Show more names
COc1ccc(c(c1)C)C=C1C(=O)NC(=O)N(C1=O)c1cccc(c1)Br1(3BROMOPHENYL)5(4METHOXY2METHYLBENZYLIDENE)PYRIMIDINE246TRIONECC1=C(C=CC(=C1)OC)C=C2C(=O)NC(=O)N(C2=O)C3=CC(=CC=C3)Br(5E)1(3BROMOPHENYL)5((4METHOXY2METHYLPHENYL)METHYLIDENE)13DIAZINANE246TRIONE(5E)1(3BROMOPHENYL)5(4METHOXY2METHYLBENZYLIDENE)PYRIMIDINE246(1H3H5H)TRIONE1(3BROMOPHENYL)5((4METHOXY2METHYLPHENYL)METHYLENE)13DIHYDROPYRIMIDINE246TRIONE1-(3-bromophenyl)-5-[(4-methoxy-2-methylphenyl)methylene]-1,3-dihydropyrimidin e-2,4,6-trione
Database identifiers
- CAS
5995-20-0- PubChem CID
- 1361022
- DTXSID
DTXSID10362101
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 75.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 621
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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