Basic information
- Standard SMILES
Nc1nc(NCCNCc2ncc(-c3ncc[nH]3)c(-c3ccc(Cl)cc3Cl)n2)ccc1[N+](=O)[O-]- InChIKey
MKOOPDSHYBRJMS-UHFFFAOYSA-N- Molecular formula
- C21H19Cl2N9O2
- Average molar mass
- 500.3 g/mol
Names & identifiers
- Preferred name
- [4-(2,4-Dichlorophenyl)-5-imidazolylpyrimidin-2-yl]methyl {2-[(5-nitro-6-amino(2-pyridyl))amino]ethyl}amine
- IUPAC
- 6-N-[2-[[4-(2,4-dichlorophenyl)-5-(1H-imidazol-2-yl)pyrimidin-2-yl]methylamino]ethyl]-3-nitropyridine-2,6-diamine
Names & synonyms
SCHEMBL4401821MKOOPDSHYBRJMS-UHFFFAOYSA-N[4-(2,4-dichlorophenyl)-5-imidazolylpyrimidin-2-yl]methyl {2-[(5-nitro-6-amino(2-pyridyl))amino]ethyl}amine
Database identifiers
- PubChem CID
- 69029696
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 163 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 660
Related reactions
2 records
Compound notes
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