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2,4-Diamino-6-(4-fluorophenyl)-1,3,5-triazine - 95%, high purity , CAS No.30530-44-0
Basic Description
Synonyms
30530-44-0 | 2,4-Diamino-6-(4-fluorophenyl)-1,3,5-triazine | 6-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine | CHEMBL139399 | SCHEMBL2493658 | DTXSID60464366 | MFCD00737286 | AKOS015894736 | SB73355 | CS-0360888 | FT-0692830 | A18612 | 6-(4-fluorophenyl)-2,4-diamino-1,3,5-triazine
Specifications & Purity
≥95%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Triazines
Subclass
Aminotriazines
Intermediate Tree Nodes
Not available
Direct Parent
1,3,5-triazine-2,4-diamines
Alternative Parents
Fluorobenzenes Aryl fluorides 1,3,5-triazines Heteroaromatic compounds Azacyclic compounds Primary amines Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2,4-diamine-s-triazine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - 1,3,5-triazine - Benzenoid - Heteroaromatic compound - Azacycle - Organohalogen compound - Organonitrogen compound - Primary amine - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organofluoride - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 1,3,5-triazine-2,4-diamines. These are aromatic compounds containing a 1,3,5-triazine ring which is 2,4-disusbtituted wit amine groups.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
6-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine
INCHI
InChI=1S/C9H8FN5/c10-6-3-1-5(2-4-6)7-13-8(11)15-9(12)14-7/h1-4H,(H4,11,12,13,14,15)
InChIKey
UPQUQQDAZPFXCH-UHFFFAOYSA-N
Smiles
C1=CC(=CC=C1C2=NC(=NC(=N2)N)N)F
Isomeric SMILES
C1=CC(=CC=C1C2=NC(=NC(=N2)N)N)F
WGK Germany
3
Molecular Weight
205.19
Reaxy-Rn
523123
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=523123&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
205.190 g/mol
XLogP3
1.600
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
1
Exact Mass
205.076 Da
Monoisotopic Mass
205.076 Da
Topological Polar Surface Area
90.700 Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
197.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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