Basic information
- Standard SMILES
COc1ccc(N2CCN(Cc3cnc(N)nc3N)CC2)cc1- InChIKey
AMFFSBSGZBPTDQ-UHFFFAOYSA-N- Molecular formula
- C16H22N6O
- Average molar mass
- 314.39 g/mol
Names & identifiers
- Preferred name
- 5-[4-(4-Methoxy-phenyl)-piperazin-1-ylmethyl]-pyrimidine-2,4-diamine
- IUPAC
- 5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]pyrimidine-2,4-diamine
Names & synonyms
SCHEMBL7801891AMFFSBSGZBPTDQ-UHFFFAOYSA-N5-[4-(4-methoxy-phenyl)-piperazin-1-ylmethyl]-pyrimidine-2,4-diamine
Database identifiers
- PubChem CID
- 21473619
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 93.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 354
Related reactions
3 records
Compound notes
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