6-(chloromethyl)-N2-(2,5-dimethoxyphenyl)-1,3,5-triazine-2,4-diamine
Basic information
- CAS
689754-28-7- Standard SMILES
COc1ccc(OC)c(Nc2nc(N)nc(CCl)n2)c1- InChIKey
LRMITMUUQVAMMW-UHFFFAOYSA-N- Molecular formula
- C12H14ClN5O2
- Average molar mass
- 295.72 g/mol
- Monoisotopic mass
- 295.0836024
Overview
6-(chloromethyl)-N2-(2,5-dimethoxyphenyl)-1,3,5-triazine-2,4-diamine is a dimethoxybenzene.
Names & identifiers
- Preferred name
- 6-(chloromethyl)-N2-(2,5-dimethoxyphenyl)-1,3,5-triazine-2,4-diamine
- IUPAC
- 6-(chloromethyl)-2-N-(2,5-dimethoxyphenyl)-1,3,5-triazine-2,4-diamine
- English name
- AKOS BBS-00005486
- Molecular formula
- C12H14ClN5O2
- Molecular weight
- 295.72
Names & synonyms
689754-28-76-(chloromethyl)-N2-(2,5-dimethoxyphenyl)-1,3,5-triazine-2,4-diamine6-(chloromethyl)-N-(2,5-dimethoxyphenyl)-1,3,5-triazine-2,4-diamine6-(chloromethyl)-2-N-(2,5-dimethoxyphenyl)-1,3,5-triazine-2,4-diamineMFCD038552761,3,5-Triazine-2,4-diamine, 6-(chloromethyl)-N-(2,5-dimethoxyphenyl)-6-(Chloromethyl)-N~2~-(2,5-dimethoxyphenyl)-1,3,5-triazine-2,4-diamineMLS000762984CHEMBL1404448CHEBI:111358LRMITMUUQVAMMW-UHFFFAOYSA-NDTXSID701325464
Show more names
ASISCHEM C36474AKOS BBS-000054861,3,5-Triazine-2,4-diamine, 6-(chloromethyl)-N2-(2,5-dimethoxyphenyl)-
HMS2804E12KUC105498NALBB-022038KSC-16-25SBB041762STK202814AKOS000270259SB73294
Database identifiers
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 95.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 299
Experimental & physicochemical properties
Solubility22.4 [ug/mL] (The mean of the results at pH 7.4)
Chemistry & industry
Additional notes
DefinitionChEBI: 6-(chloromethyl)-N2-(2,5-dimethoxyphenyl)-1,3,5-triazine-2,4-diamine is a dimethoxybenzene.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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