Basic information
- CAS
116146-08-8- Standard SMILES
CC(C)(Nc1nc(Cl)nc(NC2CCCC2)n1)c1ccccc1- InChIKey
GICIURDKQIEKMV-UHFFFAOYSA-N- Molecular formula
- C17H22ClN5
- Average molar mass
- 331.8 g/mol
- Monoisotopic mass
- 331.1563734
Names & identifiers
- Preferred name
- 1,3,5-Triazine-2,4-diamine, 6-chloro-4-N-cyclopentyl-2-N-(2-phenylpropan-2-yl)-
- IUPAC
- 6-chloro-4-N-cyclopentyl-2-N-(2-phenylpropan-2-yl)-1,3,5-triazine-2,4-diamine
Names & synonyms
1,3,5-Triazine-2,4-diamine, 6-chloro-4-N-cyclopentyl-2-N-(2-phenylpropan-2-yl)-116146-08-86-chloro-4-N-cyclopentyl-2-N-(2-phenylpropan-2-yl)-1,3,5-triazine-2,4-diamineDTXSID101512946-Chloro-N~2~-cyclopentyl-N~4~-(2-phenylpropan-2-yl)-1,3,5-triazine-2,4-diamine
Database identifiers
- CAS
116146-08-8- PubChem CID
- 189368
- DTXSID
DTXSID10151294
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 62.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 366
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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