2-[[6-Amino-2-(4-methylanilino)-5-nitropyrimidin-4-yl]amino]ethanol
Basic information
- CAS
714921-07-0- Standard SMILES
Cc1ccc(Nc2nc(N)c([N+](=O)[O-])c(NCCO)n2)cc1- InChIKey
MZZHJYYTODDKDF-UHFFFAOYSA-N- Molecular formula
- C13H16N6O3
- Average molar mass
- 304.3 g/mol
- Monoisotopic mass
- 304.12838839
Names & identifiers
- Preferred name
- 2-[[6-Amino-2-(4-methylanilino)-5-nitropyrimidin-4-yl]amino]ethanol
- IUPAC
- 2-[[6-amino-2-(4-methylanilino)-5-nitropyrimidin-4-yl]amino]ethanol
Names & synonyms
MLS0003334332-[[6-amino-2-(4-methylanilino)-5-nitropyrimidin-4-yl]amino]ethanolSMR0004367362-(6-Amino-5-nitro-2-p-tolylamino-pyrimidin-4-ylamino)-ethanol714921-07-0CHEMBL1424553BDBM69448cid_3607003DTXSID101319681HMS2787C06STL049689AKOS005702780
Show more names
AKOS0323939672-((6-amino-5-nitro-2-(p-tolylamino)pyrimidin-4-yl)amino)ethanol2-[[6-amino-5-nitro-2-(p-toluidino)pyrimidin-4-yl]amino]ethanol2-[[6-amino-2-(4-methylanilino)-5-nitro-4-pyrimidinyl]amino]ethanol2-{[6-Amino-2-(4-methylanilino)-5-nitropyrimidin-4-yl]amino}ethan-1-ol2-[[6-azanyl-2-[(4-methylphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]ethanol2-({(2E)-6-amino-2-[(4-methylphenyl)imino]-5-nitro-1,2-dihydropyrimidin-4-yl}amino)ethanol
Database identifiers
- CAS
714921-07-0- PubChem CID
- 3607003
- DTXSID
DTXSID101319681- ChEMBL
CHEMBL1424553
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 358
Experimental & physicochemical properties
Solubility18.7 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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