4-[4-Methyl-6-(4-nitrophenoxy)pyrimidin-2-yl]morpholine
Basic information
- CAS
552841-00-6- Standard SMILES
Cc1cc(Oc2ccc([N+](=O)[O-])cc2)nc(N2CCOCC2)n1- InChIKey
WIRZZFYNWOJOGW-UHFFFAOYSA-N- Molecular formula
- C15H16N4O4
- Average molar mass
- 316.31 g/mol
- Monoisotopic mass
- 316.117155
Names & identifiers
- Preferred name
- 4-[4-Methyl-6-(4-nitrophenoxy)pyrimidin-2-yl]morpholine
- IUPAC
- 4-[4-methyl-6-(4-nitrophenoxy)pyrimidin-2-yl]morpholine
Names & synonyms
4-[4-methyl-6-(4-nitrophenoxy)pyrimidin-2-yl]morpholine4-(4-methyl-6-(4-nitrophenoxy)pyrimidin-2-yl)morpholine552841-00-6MLS000769293CHEMBL2145188DTXSID701319908HMS2781L15STK552589AKOS005479848CCG-281977SMR0004340274-[4-Methyl-6-(4-nitro-phenoxy)-pyrimidin-2-yl]-morpholine
Database identifiers
- CAS
552841-00-6- PubChem CID
- 3386009
- DTXSID
DTXSID701319908- ChEMBL
CHEMBL2145188
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 93.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 391
Experimental & physicochemical properties
Solubility0.4 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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