1,3-Dimethyl-6-(3-nitrophenyl)pteridine-2,4-dione
Basic information
- CAS
64232-89-9- Standard SMILES
Cn1c(=O)c2nc(-c3cccc([N+](=O)[O-])c3)cnc2n(C)c1=O- InChIKey
WMPZMIOTRVCVTL-UHFFFAOYSA-N- Molecular formula
- C14H11N5O4
- Average molar mass
- 313.27 g/mol
- Monoisotopic mass
- 313.08110385
Names & identifiers
- Preferred name
- 1,3-Dimethyl-6-(3-nitrophenyl)pteridine-2,4-dione
- IUPAC
- 1,3-dimethyl-6-(3-nitrophenyl)pteridine-2,4-dione
Names & synonyms
NSC28178264232-89-9DTXSID40314274NSC-2817821,3-Dimethyl-6-(3-nitrophenyl)pteridine-2,4(1H,3H)-dione
Database identifiers
- CAS
64232-89-9- PubChem CID
- 323055
- DTXSID
DTXSID40314274
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 522
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Compound notes
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