Basic information
- Standard SMILES
COCCNCc1cc(-c2cc(NCCc3ccc(OC)cc3)nc(OC)n2)ccc1F- InChIKey
GDGXGPPZPYKMAM-UHFFFAOYSA-N- Molecular formula
- C24H29FN4O3
- Average molar mass
- 440.5 g/mol
- Monoisotopic mass
- 440.22236896
Names & identifiers
- Preferred name
- 6-[4-fluoro-3-[(2-methoxyethylamino)methyl]phenyl]-2-methoxy-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
- IUPAC
- 6-[4-fluoro-3-[(2-methoxyethylamino)methyl]phenyl]-2-methoxy-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
Names & synonyms
SCHEMBL9911091
Database identifiers
- PubChem CID
- 57636103
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 77.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 12
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 510
Related reactions
1 records
Compound notes
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