6-(4-Methylphenyl)pteridine-2,4(1H,3H)-dione
Basic information
- CAS
64233-29-0- Standard SMILES
Cc1ccc(-c2cnc3[nH]c(=O)[nH]c(=O)c3n2)cc1- InChIKey
NQSUKELJAXOUCK-UHFFFAOYSA-N- Molecular formula
- C13H10N4O2
- Average molar mass
- 254.24 g/mol
- Monoisotopic mass
- 254.08037557
Names & identifiers
- Preferred name
- 6-(4-Methylphenyl)pteridine-2,4(1H,3H)-dione
- IUPAC
- 6-(4-methylphenyl)-1H-pteridine-2,4-dione
Names & synonyms
64233-29-0DTXSID303141876-(4-Methylphenyl)pteridine-2,4(1H,3H)-dioneRefChem:306683DTXCID20265311NSC281170NSC-2811702,4-dihydroxy-6-(4-methylphenyl)-pteridineAC-907/34112024
Database identifiers
- CAS
64233-29-0- PubChem CID
- 322848
- DTXSID
DTXSID30314187
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 84 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 379
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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