Basic information
- CAS
64233-26-7- Standard SMILES
Cn1c(=O)[nH]c(=O)c2nc(-c3ccc(Cl)cc3)cnc21- InChIKey
WWOUKEJTWUNNOZ-UHFFFAOYSA-N- Molecular formula
- C13H9ClN4O2
- Average molar mass
- 288.69 g/mol
- Monoisotopic mass
- 288.0414032
Names & identifiers
- Preferred name
- 6-(4-Chlorophenyl)-1-methylpteridine-2,4-dione
- IUPAC
- 6-(4-chlorophenyl)-1-methylpteridine-2,4-dione
Names & synonyms
NSC28116764233-26-7DTXSID50314184NSC-2811676-(4-Chlorophenyl)-1-methylpteridine-2,4(1H,3H)-dione
Database identifiers
- CAS
64233-26-7- PubChem CID
- 322845
- DTXSID
DTXSID50314184
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 75.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 411
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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