Basic information
- Standard SMILES
COc1ccc(CNc2ccnc(F)n2)c(OC)c1- InChIKey
XQTDRYBCDWTOSK-UHFFFAOYSA-N- Molecular formula
- C13H14FN3O2
- Average molar mass
- 263.27 g/mol
Names & identifiers
- Preferred name
- N-(2,4-dimethoxybenzyl)-2-fluoropyrimidin-4-amine
- IUPAC
- N-[(2,4-dimethoxyphenyl)methyl]-2-fluoropyrimidin-4-amine
Names & synonyms
SCHEMBL15465606XQTDRYBCDWTOSK-UHFFFAOYSA-NN-(2,4-dimethoxybenzyl)-2-fluoropyrimidin-4-amine
Database identifiers
- PubChem CID
- 89963279
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 56.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 270
Related reactions
4 records
Compound notes
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