Basic information
- Standard SMILES
N#Cc1ccc(N(Cc2ccc(F)nc2)c2cncnc2)cc1- InChIKey
FPGUGGSFVSJHNL-UHFFFAOYSA-N- Molecular formula
- C17H12FN5
- Average molar mass
- 305.31 g/mol
Names & identifiers
- Preferred name
- 5-[N-(4-Cyanophenyl)-N-[(2-fluoropyridin-5-yl)methyl]amino]pyrimidine
- IUPAC
- 4-[(6-fluoro-3-pyridinyl)methyl-pyrimidin-5-ylamino]benzonitrile
Names & synonyms
SCHEMBL8327702FPGUGGSFVSJHNL-UHFFFAOYSA-N5-[N-(4-Cyanophenyl)-N-[(2-fluoropyridin-5-yl)methyl]amino]pyrimidine
Database identifiers
- PubChem CID
- 15316646
- Nikkaji
- J864.553A
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 65.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 408
Related reactions
2 records
Compound notes
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