2-N-(2-fluorophenyl)-6-morpholin-4-yl-5-nitropyrimidine-2,4-diamine
Basic information
- CAS
673498-15-2- Standard SMILES
Nc1nc(Nc2ccccc2F)nc(N2CCOCC2)c1[N+](=O)[O-]- InChIKey
GFRASYOQLZAWHL-UHFFFAOYSA-N- Molecular formula
- C14H15FN6O3
- Average molar mass
- 334.31 g/mol
- Monoisotopic mass
- 334.11896652
Names & identifiers
- Preferred name
- 2-N-(2-fluorophenyl)-6-morpholin-4-yl-5-nitropyrimidine-2,4-diamine
- IUPAC
- 2-N-(2-fluorophenyl)-6-morpholin-4-yl-5-nitropyrimidine-2,4-diamine
Names & synonyms
N~2~-(2-fluorophenyl)-6-(morpholin-4-yl)-5-nitropyrimidine-2,4-diamine2-N-(2-fluorophenyl)-6-morpholin-4-yl-5-nitropyrimidine-2,4-diamine673498-15-2MLS000332797CHEMBL1733746DTXSID701319653HMS2797K05STK889611AKOS001447800SMR000436202ST50139055Z314611968
Show more names
N2-(2-fluorophenyl)-6-morpholino-5-nitropyrimidine-2,4-diamine(4-amino-6-morpholin-4-yl-5-nitropyrimidin-2-yl)(2-fluorophenyl)amineN*2*-(2-Fluoro-phenyl)-6-morpholin-4-yl-5-nitro-pyrimidine-2,4-diamine
Database identifiers
- CAS
673498-15-2- PubChem CID
- 3948924
- DTXSID
DTXSID701319653- ChEMBL
CHEMBL1733746
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 433
Experimental & physicochemical properties
Solubility8.2 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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