1,3,5-Triazine-2,4-diamine, N-(2-methylphenyl)-6-(2-(4-phenyl-1-piperazinyl)ethyl)-
Basic information
- CAS
7195-96-2- Standard SMILES
Cc1ccccc1Nc1nc(N)nc(CCN2CCN(c3ccccc3)CC2)n1- InChIKey
LVUZHBFYVLCTRZ-UHFFFAOYSA-N- Molecular formula
- C22H27N7
- Average molar mass
- 389.5 g/mol
- Monoisotopic mass
- 389.23279389
Names & identifiers
- Preferred name
- 1,3,5-Triazine-2,4-diamine, N-(2-methylphenyl)-6-(2-(4-phenyl-1-piperazinyl)ethyl)-
- IUPAC
- 2-N-(2-methylphenyl)-6-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3,5-triazine-2,4-diamine
Names & synonyms
BRN 06327601,3,5-Triazine-2,4-diamine, N-(2-methylphenyl)-6-(2-(4-phenyl-1-piperazinyl)ethyl)-7195-96-2DTXSID50222235N-(2-Methylphenyl)-6-(2-(4-phenyl-1-piperazinyl)ethyl)-1,3,5-triazine-2,4-diamineRefChem:217396DTXCID50144726N~2~-(2-Methylphenyl)-6-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3,5-triazine-2,4-diamine
Database identifiers
- CAS
7195-96-2- PubChem CID
- 201977
- DTXSID
DTXSID50222235
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 83.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 476
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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