Basic information
- Standard SMILES
Nc1ncc(CN2CCN(c3ccccc3)CC2)c(N)n1- InChIKey
WEXIILSUYNHWNI-UHFFFAOYSA-N- Molecular formula
- C15H20N6
- Average molar mass
- 284.36 g/mol
Names & identifiers
- Preferred name
- 5-(4-Phenyl-piperazin-1-ylmethyl)-pyrimidine-2,4-diamine
- IUPAC
- 5-[(4-phenylpiperazin-1-yl)methyl]pyrimidine-2,4-diamine
Names & synonyms
SCHEMBL7807168WEXIILSUYNHWNI-UHFFFAOYSA-N5-(4-phenyl-piperazin-1-ylmethyl)-pyrimidine-2,4-diamine
Database identifiers
- PubChem CID
- 21473672
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 84.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 311
Related reactions
3 records
Compound notes
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