N~2~-(4-chlorobenzyl)-N~4~-(3-methylphenyl)-5-nitropyrimidine-2,4,6-triamine
Basic information
- CAS
674330-96-2- Standard SMILES
Cc1cccc(Nc2nc(NCc3ccc(Cl)cc3)nc(N)c2[N+](=O)[O-])c1- InChIKey
INIAVUKPAHTRLO-UHFFFAOYSA-N- Molecular formula
- C18H17ClN6O2
- Average molar mass
- 384.8 g/mol
Names & identifiers
- Preferred name
- N~2~-(4-chlorobenzyl)-N~4~-(3-methylphenyl)-5-nitropyrimidine-2,4,6-triamine
- IUPAC
- 2-N-[(4-chlorophenyl)methyl]-4-N-(3-methylphenyl)-5-nitropyrimidine-2,4,6-triamine
- English name
- N~2~-(4-chlorobenzyl)-N~4~-(3-methylphenyl)-5-nitropyrimidine-2,4,6-triamine
- Molecular formula
- C18H17ClN6O2
- Molecular weight
- 384.82
Names & synonyms
STK858774AKOS002199975NCGC00327702-01ST50138079AB01323196-02N2-(4-chlorobenzyl)-5-nitro-N4-(m-tolyl)pyrimidine-2,4,6-triamine(6-amino-2-{[(4-chlorophenyl)methyl]amino}-5-nitropyrimidin-4-yl)(3-methylphen yl)amineN~2~-(4-chlorobenzyl)-N~4~-(3-methylphenyl)-5-nitropyrimidine-2,4,6-triamine2,4,6-Pyrimidinetriamine, N2-[(4-chlorophenyl)methyl]-N4-(3-methylphenyl)-5-nitro-
Database identifiers
- CAS
674330-96-2
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 485
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