2-N-(4-methoxyphenyl)-6-morpholin-4-yl-5-nitropyrimidine-2,4-diamine
Basic information
- CAS
578003-25-5- Standard SMILES
COc1ccc(Nc2nc(N)c([N+](=O)[O-])c(N3CCOCC3)n2)cc1- InChIKey
OFXPWSOZWPXKSB-UHFFFAOYSA-N- Molecular formula
- C15H18N6O4
- Average molar mass
- 346.34 g/mol
- Monoisotopic mass
- 346.13895308
Names & identifiers
- Preferred name
- 2-N-(4-methoxyphenyl)-6-morpholin-4-yl-5-nitropyrimidine-2,4-diamine
- IUPAC
- 2-N-(4-methoxyphenyl)-6-morpholin-4-yl-5-nitropyrimidine-2,4-diamine
Names & synonyms
578003-25-52-N-(4-methoxyphenyl)-6-morpholin-4-yl-5-nitropyrimidine-2,4-diamineMLS000770086SMR000434818N2-(4-methoxyphenyl)-6-morpholino-5-nitropyrimidine-2,4-diamineN~2~-(4-methoxyphenyl)-6-(morpholin-4-yl)-5-nitropyrimidine-2,4-diamineN*2*-(4-Methoxy-phenyl)-6-morpholin-4-yl-5-nitro-pyrimidine-2,4-diamineCHEMBL1362866BDBM69497cid_3753755DTXSID601319648HMS2785A04
Show more names
STK845406AKOS001423839CCG-193135ST50139061F2678-0752Z295462964(4-amino-6-morpholin-4-yl-5-nitropyrimidin-2-yl)(4-methoxyphenyl)amine(4-amino-6-morpholino-5-nitro-pyrimidin-2-yl)-(4-methoxyphenyl)amine
Database identifiers
- CAS
578003-25-5- PubChem CID
- 3753755
- DTXSID
DTXSID601319648- ChEMBL
CHEMBL1362866
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 436
Experimental & physicochemical properties
Solubility21.2 [ug/mL] (The mean of the results at pH 7.4)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…