2-N-methyl-6-(3-methylpiperidin-1-yl)-5-nitro-2-N-phenylpyrimidine-2,4-diamine
Basic information
- CAS
713092-42-3- Standard SMILES
CC1CCCN(c2nc(N(C)c3ccccc3)nc(N)c2[N+](=O)[O-])C1- InChIKey
HXKRKAASWHUDFR-UHFFFAOYSA-N- Molecular formula
- C17H22N6O2
- Average molar mass
- 342.4 g/mol
- Monoisotopic mass
- 342.18042397
Names & identifiers
- Preferred name
- 2-N-methyl-6-(3-methylpiperidin-1-yl)-5-nitro-2-N-phenylpyrimidine-2,4-diamine
- IUPAC
- 2-N-methyl-6-(3-methylpiperidin-1-yl)-5-nitro-2-N-phenylpyrimidine-2,4-diamine
Names & synonyms
N~2~-methyl-6-(3-methylpiperidin-1-yl)-5-nitro-N~2~-phenylpyrimidine-2,4-diamine2-N-methyl-6-(3-methylpiperidin-1-yl)-5-nitro-2-N-phenylpyrimidine-2,4-diamine713092-42-3MLS000333216CHEMBL1460418DTXSID701319639HMS2800H03STK567219AKOS002199339AKOS016306804SMR000436529ST50138190
Show more names
[4-amino-6-(3-methylpiperidyl)-5-nitropyrimidin-2-yl]methylphenylamineN*2*-Methyl-6-(3-methyl-piperidin-1-yl)-5-nitro-N*2*-phenyl-pyrimidine-2,4-diamineN2-METHYL-6-(3-METHYLPIPERIDIN-1-YL)-5-NITRO-N2-PHENYLPYRIMIDINE-2,4-DIAMINE
Database identifiers
- CAS
713092-42-3- PubChem CID
- 3995658
- DTXSID
DTXSID701319639- ChEMBL
CHEMBL1460418
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 453
Experimental & physicochemical properties
Solubility4.5 [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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