Basic information
- CAS
179184-06-6- Standard SMILES
CC1(C)N=C(N)N=C(N)N1OCCCOc1ccc(Br)cc1- InChIKey
MPXYCOHVHSXSDC-UHFFFAOYSA-N- Molecular formula
- C14H20BrN5O2
- Average molar mass
- 370.24 g/mol
- Monoisotopic mass
- 369.08004
Names & identifiers
- Preferred name
- Bromo-WR99210
- IUPAC
- 1-[3-(4-bromophenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
Names & synonyms
BROMO-WR992101-(3-(4-Bromophenoxy)propoxy)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine1-[3-(4-bromophenoxy)propoxy]-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamineRefChem:570317179184-06-68S51TS26BA1-[3-(4-BROMO-PHENOXY)-PROPOXY]-6,6-DIMETHYL-1.6-DIHYDRO-[1,3,5]TRIAZINE-2,4-DIAMINE1-(3-(4-Bromanylphenoxy)propoxy)-6,6-dimethyl-1,3,5-triazine-2,4-diamine1,3,5-Triazine-2,4-diamine, 1-(3-(4-bromophenoxy)propoxy)-1,6-dihydro-6,6-dimethyl-UNII-8S51TS26BAWRBCHEMBL126726
Show more names
SCHEMBL8934292DB04007NS00068874Q27094864
Database identifiers
- CAS
179184-06-6- PubChem CID
- 2429
- ChEMBL
CHEMBL126726- UNII
- 8S51TS26BA
- Nikkaji
- J1.277.764G
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 98.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 433
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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