1-(3,5'-Dichlorophenyl)-2,2-dimethyl-4,6-diamino-1,2-dihydro-S-triazine
Basic information
- CAS
2727-10-8- Standard SMILES
CC1(C)N=C(N)N=C(N)N1c1cc(Cl)cc(Cl)c1- InChIKey
FTQUITOMKYDIRQ-UHFFFAOYSA-N- Molecular formula
- C11H13Cl2N5
- Average molar mass
- 286.16 g/mol
- Monoisotopic mass
- 285.0548008
Names & identifiers
- Preferred name
- 1-(3,5'-Dichlorophenyl)-2,2-dimethyl-4,6-diamino-1,2-dihydro-S-triazine
- IUPAC
- 1-(3,5-dichlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
Names & synonyms
3181-64-4CHEMBL284133IZ161W4PU81-(3,5'-Dichlorophenyl)-2,2-dimethyl-4,6-diamino-1,2-dihydro-S-triazine1,3,5-Triazine-2,4-diamine,1-(3,5-dichlorophenyl)-1,6-dihydro-6,6-dimethyl-, hydrochloride (1:1)2727-10-8S-Triazine, 4,6-diamino-1-(3,5-dichlorophenyl)-1,2-dihydro-2,2-dimethyl-1,3,5-Triazine-2,4-diamine, 1-(3,5-dichlorophenyl)-1,6-dihydro-6,6-dimethyl-1-(3,5-Dichlorophenyl)-1,6-dihydro-6,6-dimethyl-1,3,5-triazine-2,4-diamineUNII-IZ161W4PU8DTXSID502746131-(3,5-dichlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
Show more names
BDBM50405097AK-105/408362001-(3,5-Dichlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine4-amino-1-(3,5-dichlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazin-2-ylamine
Database identifiers
- CAS
2727-10-8、3181-64-4- PubChem CID
- 18517
- DTXSID
DTXSID50274613- ChEMBL
CHEMBL284133- UNII
- IZ161W4PU8
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 80 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 383
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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