Basic information
- Standard SMILES
Nc1ncc(Cl)c(N2CCN(Cc3cncnc3)CC2)c1[N+](=O)[O-]- InChIKey
KYGLRBPUOSROGA-UHFFFAOYSA-N- Molecular formula
- C14H16ClN7O2
- Average molar mass
- 349.77 g/mol
Names & identifiers
- Preferred name
- 5-Chloro-3-nitro-4-(4-(pyrimidin-5-ylmethyl)piperazin-1-yl)pyridin-2-amine
- IUPAC
- 5-chloro-3-nitro-4-[4-(pyrimidin-5-ylmethyl)piperazin-1-yl]pyridin-2-amine
Names & synonyms
SCHEMBL210676KYGLRBPUOSROGA-UHFFFAOYSA-N5-Chloro-3-nitro-4-(4-(pyrimidin-5-ylmethyl)piperazin-1-yl)pyridin-2-amine
Database identifiers
- PubChem CID
- 57897261
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 424
Related reactions
3 records
Compound notes
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