N-(2-trimethylammonioethyl)-6-methyl-4-(3-nitrophenyl)-2-phenyl-5-pyrimidinecarboxamide iodide
Basic information
- Standard SMILES
Cc1nc(-c2ccccc2)nc(-c2cccc([N+](=O)[O-])c2)c1C(=O)NCC[N+](C)(C)C.[I-]- InChIKey
OOPMAKDNBMIVFC-UHFFFAOYSA-N- Molecular formula
- C23H26IN5O3
- Average molar mass
- 547.4 g/mol
- Monoisotopic mass
- 547.10804
Names & identifiers
- Preferred name
- N-(2-trimethylammonioethyl)-6-methyl-4-(3-nitrophenyl)-2-phenyl-5-pyrimidinecarboxamide iodide
- IUPAC
- trimethyl-[2-[[4-methyl-6-(3-nitrophenyl)-2-phenylpyrimidine-5-carbonyl]amino]ethyl]azanium iodide
Names & synonyms
SCHEMBL10375506OOPMAKDNBMIVFC-UHFFFAOYSA-NN-(2-trimethylammonioethyl)-6-methyl-4-(3-nitrophenyl)-2-phenyl-5-pyrimidinecarboxamide iodide
Database identifiers
- PubChem CID
- 20183398
Properties
Computed structural properties
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 611
Related reactions
1 records
Compound notes
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