Basic information
- Standard SMILES
CC(=O)Nc1ccc(Nc2ncc(F)c(Nc3ccc(NC(C)=O)cc3)n2)cc1- InChIKey
NLNJMYKBYJSIPC-UHFFFAOYSA-N- Molecular formula
- C20H19FN6O2
- Average molar mass
- 394.4 g/mol
Names & identifiers
- Preferred name
- N2,N4-bis-(4-acetamidophenyl)-5-fluoro-2,4-pyrimidinediamine
- IUPAC
- N-[4-[[2-(4-acetamidoanilino)-5-fluoropyrimidin-4-yl]amino]phenyl]acetamide
Names & synonyms
SCHEMBL655968NLNJMYKBYJSIPC-UHFFFAOYSA-NN2,N4-bis-(4-acetamidophenyl)-5-fluoro-2,4-pyrimidinediamine
Database identifiers
- PubChem CID
- 22060422
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 549
Related reactions
24 records
Compound notes
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