2-[[6-Amino-2-(2-fluoroanilino)-5-nitropyrimidin-4-yl]amino]ethanol
Basic information
- CAS
714932-10-2- Standard SMILES
Nc1nc(Nc2ccccc2F)nc(NCCO)c1[N+](=O)[O-]- InChIKey
HNAQPEWCMHWWGX-UHFFFAOYSA-N- Molecular formula
- C12H13FN6O3
- Average molar mass
- 308.27 g/mol
- Monoisotopic mass
- 308.10331646
Names & identifiers
- Preferred name
- 2-[[6-Amino-2-(2-fluoroanilino)-5-nitropyrimidin-4-yl]amino]ethanol
- IUPAC
- 2-[[6-amino-2-(2-fluoroanilino)-5-nitropyrimidin-4-yl]amino]ethanol
Names & synonyms
MLS0003332542-[[6-amino-2-(2-fluoroanilino)-5-nitropyrimidin-4-yl]amino]ethanolSMR0004365232-[6-Amino-2-(2-fluoro-phenylamino)-5-nitro-pyrimidin-4-ylamino]-ethanol714932-10-2CHEMBL1521771BDBM69468cid_3978264DTXSID901319685HMS2787C12STL057492AKOS005710303
Show more names
AKOS0323885172-((6-amino-2-((2-fluorophenyl)amino)-5-nitropyrimidin-4-yl)amino)ethanol2-[[6-amino-2-(2-fluoroanilino)-5-nitro-4-pyrimidinyl]amino]ethanol2-[[6-amino-2-(2-fluoroanilino)-5-nitro-pyrimidin-4-yl]amino]ethanol2-{[6-Amino-2-(2-fluoroanilino)-5-nitropyrimidin-4-yl]amino}ethan-1-ol2-[[6-azanyl-2-[(2-fluorophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]ethanol2-({(2Z)-6-amino-2-[(2-fluorophenyl)imino]-5-nitro-2,3-dihydropyrimidin-4-yl}amino)ethanol
Database identifiers
- CAS
714932-10-2- PubChem CID
- 3978264
- DTXSID
DTXSID901319685- ChEMBL
CHEMBL1521771
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 371
Experimental & physicochemical properties
Solubility45.8 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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