6,7-Bis(4-chlorophenyl)-1,3-dimethylpteridine-2,4(1H,3H)-dione
Basic information
- CAS
60333-35-9- Standard SMILES
Cn1c(=O)c2nc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)nc2n(C)c1=O- InChIKey
UDCKKZBTGFAGRE-UHFFFAOYSA-N- Molecular formula
- C20H14Cl2N4O2
- Average molar mass
- 413.3 g/mol
- Monoisotopic mass
- 412.0493811
Names & identifiers
- Preferred name
- 6,7-Bis(4-chlorophenyl)-1,3-dimethylpteridine-2,4(1H,3H)-dione
- IUPAC
- 6,7-bis(4-chlorophenyl)-1,3-dimethylpteridine-2,4-dione
Names & synonyms
60333-35-96,7-Bis(4-chlorophenyl)-1,3-dimethylpteridine-2,4(1H,3H)-dioneNSC280488DTXSID50314063NSC-280488
Database identifiers
- CAS
60333-35-9- PubChem CID
- 322530
- DTXSID
DTXSID50314063
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 605
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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