6-(3,4-Dichlorophenyl)-1-methylpteridine-2,4-dione
Basic information
- CAS
64233-28-9- Standard SMILES
Cn1c(=O)[nH]c(=O)c2nc(-c3ccc(Cl)c(Cl)c3)cnc21- InChIKey
QMSPBCIBIDWEFN-UHFFFAOYSA-N- Molecular formula
- C13H8Cl2N4O2
- Average molar mass
- 323.13 g/mol
- Monoisotopic mass
- 322.0024309
Names & identifiers
- Preferred name
- 6-(3,4-Dichlorophenyl)-1-methylpteridine-2,4-dione
- IUPAC
- 6-(3,4-dichlorophenyl)-1-methylpteridine-2,4-dione
Names & synonyms
NSC28116364233-28-9DTXSID10314180NSC-281163DS-0035256-(3,4-Dichlorophenyl)-1-methylpteridine-2,4(1H,3H)-dione2,4(1H,3H)-PTERIDINEDIONE,6-(3,4-DICHLOROPHENYL)-1-METHYL-
Database identifiers
- CAS
64233-28-9- PubChem CID
- 322841
- DTXSID
DTXSID10314180
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 75.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 450
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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