Basic information
- Standard SMILES
CC(C)(CO)NC(=O)c1cc2cc(Nc3ncc(F)c(Nc4cccc(O)c4)n3)ccc2o1- InChIKey
PHGRTWGKNHSIBJ-UHFFFAOYSA-N- Molecular formula
- C23H22FN5O4
- Average molar mass
- 451.4 g/mol
Names & identifiers
- Preferred name
- 5-fluoro-N2-[2-(2-hydroxy-1,1-dimethylethylamino)carbonylbenzofuran-5-yl]-N4-(3-hydroxyphenyl)-2,4-pyrimidinediamine
- IUPAC
- 5-[[5-fluoro-4-(3-hydroxyanilino)pyrimidin-2-yl]amino]-N-(1-hydroxy-2-methylpropan-2-yl)-1-benzofuran-2-carboxamide
Names & synonyms
SCHEMBL656395CHEMBL3905202SCHEMBL29794700PHGRTWGKNHSIBJ-UHFFFAOYSA-NBDBM255480US9499493, R9267155-fluoro-N2-[2-(2-hydroxy-1,1-dimethylethylamino)carbonylbenzofuran-5-yl]-N4-(3-hydroxyphenyl)-2 ,4-pyrimidinediamine5-fluoro-N2-[2-(2-hydroxy-1,1-dimethylethylamino)carbonylbenzofuran-5-yl]-N4-(3-hydroxyphenyl)-2,4-pyrimidinediamine
Database identifiers
- PubChem CID
- 11626586
- ChEMBL
CHEMBL3905202
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 671
Related reactions
25 records
Compound notes
Loading…