Basic information
- Standard SMILES
COc1ccc(N2C(=O)N(c3ccccc3)c3nc(Nc4ccccc4)ncc3C2C)c(F)c1- InChIKey
HICDVPWTRLOJCT-UHFFFAOYSA-N- Molecular formula
- C26H22FN5O2
- Average molar mass
- 455.5 g/mol
Names & identifiers
- Preferred name
- (+/-)-3-(2-fluoro-4-methoxy-phenyl)-4-methyl-1-phenyl-7-phenylamino-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one
- IUPAC
- 7-anilino-3-(2-fluoro-4-methoxyphenyl)-4-methyl-1-phenyl-4H-pyrimido[4,5-d]pyrimidin-2-one
Names & synonyms
SCHEMBL4705533HICDVPWTRLOJCT-UHFFFAOYSA-N(+/-)-3-(2-fluoro-4-methoxy-phenyl)-4-methyl-1-phenyl-7-phenylamino-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one
Database identifiers
- PubChem CID
- 10072709
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 70.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 686
Related reactions
2 records
Compound notes
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