Basic information
- Standard SMILES
CCc1ccc(N2Cc3cnc(Nc4ccc(F)cc4)nc3N(C3CCC(O)C3)C2=O)cc1- InChIKey
LQMFYJJYTMNXLV-UHFFFAOYSA-N- Molecular formula
- C25H26FN5O2
- Average molar mass
- 447.5 g/mol
Names & identifiers
- Preferred name
- 3-(4-ethylphenyl)-7-(4-fluoroanilino)-1-(3-hydroxycyclopentyl)-4H-pyrimido[4,5-d]pyrimidin-2-one
- IUPAC
- 3-(4-ethylphenyl)-7-(4-fluoroanilino)-1-(3-hydroxycyclopentyl)-4H-pyrimido[4,5-d]pyrimidin-2-one
Names & synonyms
SCHEMBL5822482
Database identifiers
- PubChem CID
- 21939331
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 81.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 667
Related reactions
1 records
Compound notes
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