5-nitro-4-N,6-N-diphenylpyrimidine-4,6-diamine
Basic information
- CAS
54706-01-3- Standard SMILES
O=[N+]([O-])c1c(Nc2ccccc2)ncnc1Nc1ccccc1- InChIKey
KPYIJACZWVDOOQ-UHFFFAOYSA-N- Molecular formula
- C16H13N5O2
- Average molar mass
- 307.31 g/mol
- Monoisotopic mass
- 307.10692467
Names & identifiers
- Preferred name
- 5-nitro-4-N,6-N-diphenylpyrimidine-4,6-diamine
- IUPAC
- 5-nitro-4-N,6-N-diphenylpyrimidine-4,6-diamine
Names & synonyms
54706-01-35-nitro-4-N,6-N-diphenylpyrimidine-4,6-diamineNSC266153DTXSID30313074AKOS002880785NSC-2661535-Nitro-N^4^,N^6^-diphenylpyrimidine-4,6-diamine5-Nitro-N~4~,N~6~-diphenylpyrimidine-4,6-diamine
Database identifiers
- CAS
54706-01-3- PubChem CID
- 320001
- DTXSID
DTXSID30313074
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 95.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 349
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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