Basic information
- CAS
757878-85-6- Standard SMILES
Cc1cc(Nc2ccc3c(c2)c(-c2ccc(N)cc2)[n+](C)c2cc(N)ccc32)nc(N)[n+]1C- InChIKey
ATUKMAKBUDAKLO-UHFFFAOYSA-P- Molecular formula
- C26H27N7+2
- Average molar mass
- 437.5 g/mol
- Monoisotopic mass
- 437.23279389
Names & identifiers
- Preferred name
- Pyritidium
- IUPAC
- 8-N-(2-amino-1,6-dimethylpyrimidin-1-ium-4-yl)-6-(4-aminophenyl)-5-methylphenanthridin-5-ium-3,8-diamine
Names & synonyms
Pyritidium0PFV70949SUNII-0PFV70949SPYRITHIDIUMPYRITIDIUM IONPYRITIDIUM CATION757878-85-63-AMINO-8-((2-AMINO-6-METHYL-4-PYRIMIDINYL)AMINO)-6-(P-AMINOPHENYL)-5-METHYLPHENANTHRIDINIUMPHENANTHRIDINIUM, 3-AMINO-8-((2-AMINO-1,6-DIMETHYL-4(1H)-PYRIMIDINYLIDENE)AMINO)-6-(4-AMINOPHENYL)-5-METHYL-RefChem:177803DTXCID801122163616-05-5
Show more names
DTXSID20189725CHEMBL2110711SCHEMBL29387282Q27237065
Database identifiers
- CAS
757878-85-6- PubChem CID
- 71866
- ChEMBL
CHEMBL2110711- UNII
- 0PFV70949S
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 33
- Formal charge
- 2
- Complexity
- 653
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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