Basic information
- Standard SMILES
COc1cc(Cl)cc(Oc2cnc(N)nc2N)c1C(C)(C)F- InChIKey
MGADIFGAZQDVRU-UHFFFAOYSA-N- Molecular formula
- C14H16ClFN4O2
- Average molar mass
- 326.75 g/mol
Names & identifiers
- Preferred name
- 5-[5-Chloro-2-(1-fluoro-1-methyl-ethyl)-methoxy-phenoxy]-pyrimidine-2,4-diamine
- IUPAC
- 5-[5-chloro-2-(2-fluoropropan-2-yl)-3-methoxyphenoxy]pyrimidine-2,4-diamine
Names & synonyms
SCHEMBL1494076MGADIFGAZQDVRU-UHFFFAOYSA-N5-[5-Chloro-2-(1-fluoro-1-methyl-ethyl)-methoxy-phenoxy]-pyrimidine-2,4-diamine
Database identifiers
- PubChem CID
- 67053429
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 96.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 377
Related reactions
3 records
Compound notes
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