Basic information
- CAS
56302-63-7- Standard SMILES
CCOC(=O)c1ccc(Nc2cc(C)nc(-c3cccc(F)c3)n2)cc1- InChIKey
FUJQWCBJXPGYKP-UHFFFAOYSA-N- Molecular formula
- C20H18FN3O2
- Average molar mass
- 351.4 g/mol
- Monoisotopic mass
- 351.13830499
Names & identifiers
- Preferred name
- Benzoic acid, 4-((2-(3-fluorophenyl)-6-methyl-4-pyrimidinyl)amino)-, ethyl ester
- IUPAC
- ethyl 4-[[2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]amino]benzoate
Names & synonyms
BRN 0706424Benzoic acid, 4-((2-(3-fluorophenyl)-6-methyl-4-pyrimidinyl)amino)-, ethyl ester56302-63-7DTXSID00204844Ethyl 4-((2-(3-fluorophenyl)-6-methyl-4-pyrimidinyl)amino)benzoate5-25-11-00250 (Beilstein Handbook Reference)RefChem:327311DTXCID30127335SCHEMBL18764379Ethyl 4-{[2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]amino}benzoate
Database identifiers
- CAS
56302-63-7- PubChem CID
- 3043888
- DTXSID
DTXSID00204844
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 64.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 456
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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