N-tert-Butyl-6-chloro-N'-methyl-[1,3,5]triazine-2,4-diamine , CAS No.34333-27-2

CAS: 34333-27-2 Cat. No.: N667890 Molecular Weight: 215.68
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Synonyms
GS 18183 | 1,3,5-Triazine-2,4-diamine, 6-chloro-N2-(1,1-dimethylethyl)-N4-methyl- | GS-18183 | CBDivE_006650 | MLS000557700 | DTXSID00187906 | HMS2163O17 | HMS3314N12 | N-tert-Butyl-6-chloro-N'-methyl-[1,3,5]triazine-2,4-diamine | STK003827 | AKOS00059373
Storage
Room temperature
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Size
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1mg
N667890-1mg
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$571.90

$999.90
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5mg
N667890-5mg
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$1,999.90

$2,999.90
Save $1,000.00 (33.33%)
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
GS 18183 | 1, 3, 5-Triazine-2, 4-diamine, 6-chloro-N2-(1, 1-dimethylethyl)-N4-methyl- | GS-18183 | CBDivE_006650 | MLS000557700 | DTXSID00187906 | HMS2163O17 | HMS3314N12 | N-tert-Butyl-6-chloro-N'-methyl-[1, 3, 5]triazine-2, 4-diamine | STK003827 | AKOS00059373
Storage
Room temperature
Product Properties
ALogP2.7
Names and Identifiers
Canonical SmilesCC(C)(C)NC1=NC(=NC(=N1)NC)Cl
IUPAC Name2-N-tert-butyl-6-chloro-4-N-methyl-1,3,5-triazine-2,4-diamine
InChIKeyOFWPFMDXRGTHFT-UHFFFAOYSA-N
INCHI1S/C8H14ClN5/c1-8(2,3)14-7-12-5(9)11-6(10-4)13-7/h1-4H3,(H2,10,11,12,13,14)
Isomeric SMILES CC(C)(C)NC1=NC(=NC(=N1)NC)Cl
Molecular Weight 215.68
Reaxy-Rn 23724157
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23724157&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassTriazines
SubclassAminotriazines
Intermediate Tree Nodes Not available
Direct Parent1,3,5-triazine-2,4-diamines
Alternative Parents Secondary alkylarylamines  N-aliphatic s-triazines  Chloro-s-triazines  Aryl chlorides  Heteroaromatic compounds  Azacyclic compounds  Organopnictogen compounds  Organochlorides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents 2,4-diamine-s-triazine - Chloro-s-triazine - Halo-s-triazine - Secondary aliphatic/aromatic amine - N-aliphatic s-triazine - Aryl chloride - Aryl halide - 1,3,5-triazine - Heteroaromatic compound - Azacycle - Secondary amine - Amine - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Organopnictogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
DescriptionThis 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
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
PDE4A Tclin cAMP-specific 3',5'-cyclic phosphodiesterase 4A (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
PDE4A Tclin Phosphodiesterase 4A (1943 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight215.680 g/mol
XLogP32.700
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass215.094 Da
Monoisotopic Mass215.094 Da
Topological Polar Surface Area62.700 Ų
Heavy Atom Count14
Formal Charge0
Complexity181.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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