Basic information
- CAS
116145-95-0- Standard SMILES
CC(C)CNc1nc(Cl)nc(NC(C)(C)c2ccccc2)n1- InChIKey
ALULQTLSNKUBOD-UHFFFAOYSA-N- Molecular formula
- C16H22ClN5
- Average molar mass
- 319.83 g/mol
- Monoisotopic mass
- 319.1563734
Names & identifiers
- Preferred name
- 6-chloro-4-N-(2-methylpropyl)-2-N-(2-phenylpropan-2-yl)-1,3,5-triazine-2,4-diamine
- IUPAC
- 6-chloro-4-N-(2-methylpropyl)-2-N-(2-phenylpropan-2-yl)-1,3,5-triazine-2,4-diamine
Names & synonyms
6-chloro-4-N-(2-methylpropyl)-2-N-(2-phenylpropan-2-yl)-1,3,5-triazine-2,4-diamine116145-95-0DTXSID901512926-Chloro-N~2~-(2-methylpropyl)-N~4~-(2-phenylpropan-2-yl)-1,3,5-triazine-2,4-diamine
Database identifiers
- CAS
116145-95-0- PubChem CID
- 189359
- DTXSID
DTXSID90151292
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 62.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 330
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…