4-N-butyl-6-chloro-2-N-(2-phenylpropan-2-yl)-1,3,5-triazine-2,4-diamine
Basic information
- CAS
116145-94-9- Standard SMILES
CCCCNc1nc(Cl)nc(NC(C)(C)c2ccccc2)n1- InChIKey
FFRLDOKUUXKTIW-UHFFFAOYSA-N- Molecular formula
- C16H22ClN5
- Average molar mass
- 319.83 g/mol
- Monoisotopic mass
- 319.1563734
Names & identifiers
- Preferred name
- 4-N-butyl-6-chloro-2-N-(2-phenylpropan-2-yl)-1,3,5-triazine-2,4-diamine
- IUPAC
- 4-N-butyl-6-chloro-2-N-(2-phenylpropan-2-yl)-1,3,5-triazine-2,4-diamine
Names & synonyms
116145-94-94-N-butyl-6-chloro-2-N-(2-phenylpropan-2-yl)-1,3,5-triazine-2,4-diamineDTXSID709219306-(Butylimino)-4-chloro-N-(2-phenylpropan-2-yl)-1,6-dihydro-1,3,5-triazin-2-amine
Database identifiers
- CAS
116145-94-9- PubChem CID
- 189358
- DTXSID
DTXSID70921930
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 62.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 320
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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