Basic information
- CAS
56518-56-0- Standard SMILES
COc1cc(Cc2cnc(N)nc2N)cc(OC)c1F- InChIKey
PLEULQHGUZQCDS-UHFFFAOYSA-N- Molecular formula
- C13H15FN4O2
- Average molar mass
- 278.28 g/mol
- Monoisotopic mass
- 278.1179039
Names & identifiers
- Preferred name
- 5-[(4-Fluoro-3,5-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
- IUPAC
- 5-[(4-fluoro-3,5-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
Names & synonyms
56518-56-05-[(4-Fluoro-3,5-dimethoxyphenyl)methyl]pyrimidine-2,4-diamineSCHEMBL11595225DTXSID80496341
Database identifiers
- CAS
56518-56-0- PubChem CID
- 12398457
- DTXSID
DTXSID80496341
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 96.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 296
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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