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Basic information
- Standard SMILES
Cc1cc(Nc2ncnc3ccn(CCN)c23)ccc1Oc1cccc(C(F)(F)F)c1- InChIKey
FMVAJADPITZXKT-UHFFFAOYSA-N- Molecular formula
- C22H20F3N5O
- Average molar mass
- 427.4 g/mol
- Monoisotopic mass
- 427.16199476
Names & identifiers
- Preferred name
- 5-(2-aminoethyl)-N-{3-methyl-4-[3-(trifluoromethyl)phenoxy]phenyl}-5H-pyrrolo[3,2-d]pyrimidin-4-amine
- IUPAC
- 5-(2-aminoethyl)-N-[3-methyl-4-[3-(trifluoromethyl)phenoxy]phenyl]pyrrolo[3,2-d]pyrimidin-4-amine
Names & synonyms
5-(2-aminoethyl)-N-{3-methyl-4-[3-(trifluoromethyl)phenoxy]phenyl}-5H-pyrrolo[3,2-d]pyrimidin-4-amineSCHEMBL2749210
Database identifiers
- PubChem CID
- 67520522
Properties
Computed structural propertiesFilling in
- XLogP
- 4
- Topological polar surface area
- 78 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 580
Related reactions
3 records
Compound notes
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