Basic information
- Standard SMILES
Cc1ncc(CN2CCN(c3ccccc3[N+](=O)[O-])CC2)c(N)n1- InChIKey
JYFJZAZNSPIWNS-UHFFFAOYSA-N- Molecular formula
- C16H20N6O2
- Average molar mass
- 328.37 g/mol
Names & identifiers
- Preferred name
- 2-Methyl-5-[4-(2-nitro-phenyl)-piperazin-1-ylmethyl]-pyrimidin-4-ylamine
- IUPAC
- 2-methyl-5-[[4-(2-nitrophenyl)piperazin-1-yl]methyl]pyrimidin-4-amine
Names & synonyms
SCHEMBL7807133JYFJZAZNSPIWNS-UHFFFAOYSA-N2-methyl-5- [4-(2-nitro-phenyl )-piperazin-1-ylmethyl]-pyrimidin-4-ylamine
Database identifiers
- PubChem CID
- 21473662
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 423
Related reactions
1 records
Compound notes
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