Basic information
- Standard SMILES
COc1ccc(CCNc2cc(OCc3ccccc3OC)nc(OC)n2)cc1- InChIKey
HIXLPEPAQPRNNN-UHFFFAOYSA-N- Molecular formula
- C22H25N3O4
- Average molar mass
- 395.5 g/mol
Names & identifiers
- Preferred name
- [2-Methoxy-6-(2-methoxy-benzyloxy)-pyrimidin-4-yl]-[2-(4-methoxy-phenyl)-ethyl]-amine
- IUPAC
- 2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[(2-methoxyphenyl)methoxy]pyrimidin-4-amine
Names & synonyms
CHEMBL1644231SCHEMBL4505818HIXLPEPAQPRNNN-UHFFFAOYSA-NBDBM50417738[2-Methoxy-6-(2-methoxy-benzyloxy)-pyrimidin-4-yl]-[2-(4-methoxy-phenyl)-ethyl]-amine
Database identifiers
- PubChem CID
- 53323153
- ChEMBL
CHEMBL1644231
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 74.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 448
Related reactions
2 records
Compound notes
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