N-Benzyl-6-chloro-N'-ethyl-[1,3,5]triazine-2,4-diamine
Basic information
- CAS
102587-56-4- Standard SMILES
CCNc1nc(Cl)nc(NCc2ccccc2)n1- InChIKey
BZJVYPJKCGVLQV-UHFFFAOYSA-N- Molecular formula
- C12H14ClN5
- Average molar mass
- 263.72 g/mol
- Monoisotopic mass
- 263.0937732
Names & identifiers
- Preferred name
- N-Benzyl-6-chloro-N'-ethyl-[1,3,5]triazine-2,4-diamine
- IUPAC
- 2-N-benzyl-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine
Names & synonyms
N2-Benzyl-6-chloro-N4-ethyl-1,3,5-triazine-2,4-diamineN-Benzyl-6-chloro-N'-ethyl-[1,3,5]triazine-2,4-diamineSMR000176421Oprea1_090871Oprea1_690581MLS000557821CHEMBL1343762DTXSID40907903HMS2374J22AKOS000617898NCGC00245231-01AG-690/12870273
Show more names
SR-01000365880SR-01000365880-11,3,5-Triazine-2,4-diamine, N-benzyl-6-chloro-N-ethyl-N~2~-benzyl-6-chloro-N~4~-ethyl-1,3,5-triazine-2,4-diamineN~2~-Benzyl-6-chloro-N~4~-ethyl-1,3,5-triazine-2,4(1H,3H)-diimine
Database identifiers
- CAS
102587-56-4- PubChem CID
- 190396
- DTXSID
DTXSID40907903- ChEMBL
CHEMBL1343762- Nikkaji
- J367.504A
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 62.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 235
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Related reactions
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Compound notes
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