Basic information
- CAS
87871-36-1- Standard SMILES
CC1(C)N=C(N)N=C(N)N1c1ccc(OCCOc2ccc(N)cc2)cc1- InChIKey
JBGRJKGRFDNAGK-UHFFFAOYSA-N- Molecular formula
- C19H24N6O2
- Average molar mass
- 368.4 g/mol
- Monoisotopic mass
- 368.19607403
Names & identifiers
- Preferred name
- 1,3,5-Triazine-2,4-diamine, 1-(4-(2-(4-aminophenoxy)ethoxy)phenyl)-1,6-dihydro-6,6-dimethyl-
- IUPAC
- 1-[4-[2-(4-aminophenoxy)ethoxy]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
Names & synonyms
87871-36-1NSC 112529CHEMBL333891,3,5-Triazine-2,4-diamine, 1-(4-(2-(4-aminophenoxy)ethoxy)phenyl)-1,6-dihydro-6,6-dimethyl-1-(4-((-Aminophenyl)ethylenedioxy)phenyl)-4,6-diamino-2,2-dimethyl-NSC1206251-[4-((-Aminophenyl)ethylenedioxy)phenyl]-4,6-diamino-2,2-dimethyl-1,3,5-Triazine-2,4-diamine, 1-[4-[2-(4-aminophenoxy)ethoxy]phenyl]-1,6-dihydro-6,6-dimethyl-DTXSID10236676BDBM504050511-[4-[2-(4-aminophenoxy)ethoxy]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine1-{4-[2-(4-Aminophenoxy)ethoxy]phenyl}-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine
Database identifiers
- CAS
87871-36-1- PubChem CID
- 419985
- DTXSID
DTXSID10236676- ChEMBL
CHEMBL33389
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 548
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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