6-chloro-4-N-pentan-3-yl-2-N-(2-phenylpropan-2-yl)-1,3,5-triazine-2,4-diamine
Basic information
- CAS
116145-99-4- Standard SMILES
CCC(CC)Nc1nc(Cl)nc(NC(C)(C)c2ccccc2)n1- InChIKey
PZGCVWRZMYZCRX-UHFFFAOYSA-N- Molecular formula
- C17H24ClN5
- Average molar mass
- 333.9 g/mol
- Monoisotopic mass
- 333.1720235
Names & identifiers
- Preferred name
- 6-chloro-4-N-pentan-3-yl-2-N-(2-phenylpropan-2-yl)-1,3,5-triazine-2,4-diamine
- IUPAC
- 6-chloro-4-N-pentan-3-yl-2-N-(2-phenylpropan-2-yl)-1,3,5-triazine-2,4-diamine
Names & synonyms
116145-99-46-chloro-4-N-pentan-3-yl-2-N-(2-phenylpropan-2-yl)-1,3,5-triazine-2,4-diamineDTXSID509219334-Chloro-6-[(pentan-3-yl)imino]-N-(2-phenylpropan-2-yl)-1,6-dihydro-1,3,5-triazin-2-amine
Database identifiers
- CAS
116145-99-4- PubChem CID
- 189362
- DTXSID
DTXSID50921933
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 62.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 342
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…