Basic information
- CAS
883094-50-6- Standard SMILES
CC(C)Nc1ncnc(Nc2ccc(N=Nc3ccccc3)cc2)c1[N+](=O)[O-]- InChIKey
SQTOIHYTNFVXDT-UHFFFAOYSA-N- Molecular formula
- C19H19N7O2
- Average molar mass
- 377.4 g/mol
- Monoisotopic mass
- 377.16002287
Names & identifiers
- Preferred name
- 4,6-Pyrimidinediamine, N4-(1-methylethyl)-5-nitro-N6-[4-(2-phenyldiazenyl)phenyl]-
- IUPAC
- 5-nitro-6-N-(4-phenyldiazenylphenyl)-4-N-propan-2-ylpyrimidine-4,6-diamine
Names & synonyms
DTXSID301040393AKOS0028825974,6-Pyrimidinediamine, N4-(1-methylethyl)-5-nitro-N6-[4-(2-phenyldiazenyl)phenyl]-883094-50-6
Database identifiers
- CAS
883094-50-6- PubChem CID
- 23487530
- DTXSID
DTXSID301040393
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 511
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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