Basic information
- Standard SMILES
NCc1cc(-c2ccnc(Nc3cccc(OC(F)(F)C(F)F)c3)n2)ccn1- InChIKey
HJDHMQFMNFUANC-UHFFFAOYSA-N- Molecular formula
- C18H15F4N5O
- Average molar mass
- 393.3 g/mol
Names & identifiers
- Preferred name
- N-[3-(1,1,2,2-tetrafluoro-ethoxy)-phenyl]-4-(2-aminomethyl-4-pyridyl)-2-pyrimidineamine
- IUPAC
- 4-[2-(aminomethyl)-4-pyridinyl]-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrimidin-2-amine
Names & synonyms
N-[3-(1,1,2,2-tetrafluoro-ethoxy)-phenyl]-4-(2-aminomethyl-4-pyridyl)-2-pyrimidineamineSCHEMBL2322146
Database identifiers
- PubChem CID
- 19966992
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 86 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 487
Related reactions
1 records
Compound notes
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