Basic information
- Standard SMILES
COc1ccccc1N1CCN(Cc2cnc(N)nc2N)CC1- InChIKey
BJYOTEYURRQYNE-UHFFFAOYSA-N- Molecular formula
- C16H22N6O
- Average molar mass
- 314.39 g/mol
Names & identifiers
- Preferred name
- 5-[4-(2-Methoxy-phenyl)-piperazin-1-ylmethyl]-pyrimidine-2,4-diamine
- IUPAC
- 5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]pyrimidine-2,4-diamine
Names & synonyms
SCHEMBL7807007BJYOTEYURRQYNE-UHFFFAOYSA-N5-[4-(2-methoxy-phenyl)-piperazin-1-ylmethyl]-pyrimidine-2,4-diamine
Database identifiers
- PubChem CID
- 21473623
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
- 362
Related reactions
2 records
Compound notes
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