Basic information
- Standard SMILES
CC(O)Cn1cnc2c(c(Nc3ccc(I)cc3F)cc(=O)n2C)c1=O- InChIKey
KWPIVHUPCLHCGY-UHFFFAOYSA-N- Molecular formula
- C17H16FIN4O3
- Average molar mass
- 470.24 g/mol
Names & identifiers
- Preferred name
- 5-(2-Fluoro-4-iodophenylamino)-3-(2-hydroxypropyl)-8-methylpyrido[2,3-d]pyrimidine-4,7(3H,8H)-dione
- IUPAC
- 5-(2-fluoro-4-iodoanilino)-3-(2-hydroxypropyl)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione
Names & synonyms
SCHEMBL1528762CHEMBL3644825BDBM97657KWPIVHUPCLHCGY-UHFFFAOYSA-NUS8470837, 385-(2-Fluoro-4-iodophenylamino)-3-(2-hydroxypropyl)-8-methylpyrido[2,3-d]pyrimidine-4,7(3H,8H)-dione
Database identifiers
- PubChem CID
- 24967883
- ChEMBL
CHEMBL3644825
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 85.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 708
Related reactions
4 records
Compound notes
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