Basic information
- Standard SMILES
COC(=O)c1ccc(Nc2ncc(F)c(Nc3ccc(C(=O)OC)c(OC)c3)n2)cc1OC- InChIKey
FNOCSKNVHOWDJX-UHFFFAOYSA-N- Molecular formula
- C22H21FN4O6
- Average molar mass
- 456.4 g/mol
- Monoisotopic mass
- 456.14451256
Names & identifiers
- Preferred name
- N2,N4-bis(3-methoxy-4-methoxycarbonylphenyl)-5-fluoro-2,4-pyrimidinediamine
- IUPAC
- methyl 4-[[5-fluoro-2-(3-methoxy-4-methoxycarbonylanilino)pyrimidin-4-yl]amino]-2-methoxybenzoate
Names & synonyms
SCHEMBL656850FNOCSKNVHOWDJX-UHFFFAOYSA-NN2,N4-bis(3-methoxy-4-methoxycarbonylphenyl)-5-fluoro-2,4-pyrimidinediamineN2,N4-bis[3-methoxy-4-(methoxycarbonyl)phenyl]-5-fluoro-2,4-pyrimidinediamine
Database identifiers
- PubChem CID
- 22060643
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 10
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 658
Related reactions
49 records
Compound notes
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