2,4-Diamino-6-[2-(2-methyl-1-imidazolyl)ethyl]-1,3,5-triazine - ≥98% , CAS No.38668-46-1

CAS: 38668-46-1 Cat. No.: D134142 Molecular Weight: 219.25 EC Number: 254-074-6

GRADE & PURITY ≥98%

Synonyms

A873801 | CBKinase1_007710 | D3238 | 4-amino-6-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-1,3,5-triazin-2-ylamine | IDI1_003756 | SCHEMBL1695647 | HMS2446C11 | 17?-Hydroxyandrosta-4,6-dien-3-one (?6-Testosterone) | STK192049 | 6-[2-(2-methyl-1H-imidazol-1-yl)et

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

A873801 | CBKinase1_007710 | D3238 | 4-amino-6-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-1, 3, 5-triazin-2-ylamine | IDI1_003756 | SCHEMBL1695647 | HMS2446C11 | 17?-Hydroxyandrosta-4, 6-dien-3-one (?6-Testosterone) | STK192049 | 6-[2-(2-methyl-1H-imidazol-1-yl)et

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488188350
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188350
• Canonical Smiles: CC1=NC=CN1CCC2=NC(=NC(=N2)N)N
• IUPAC Name: 6-[2-(2-methylimidazol-1-yl)ethyl]-1,3,5-triazine-2,4-diamine
• InChIKey: DRQWQDPSMJHCCM-UHFFFAOYSA-N
• INCHI: 1S/C9H13N7/c1-6-12-3-5-16(6)4-2-7-13-8(10)15-9(11)14-7/h3,5H,2,4H2,1H3,(H4,10,11,13,14,15)
• Isomeric SMILES: CC1=NC=CN1CCC2=NC(=NC(=N2)N)N
• Molecular Weight: 219.25
• Reaxy-Rn: 6973600
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6973600&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Triazines
      • Subclass Aminotriazines

• 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: N-substituted imidazoles 1,3,5-triazines Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2,4-diamine-s-triazine - 1,3,5-triazine - N-substituted imidazole - Heteroaromatic compound - Imidazole - Azole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - 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.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

POLI Tchem DNA polymerase iota (116820 Activities)

Discover Target: POLI

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solubility in water: Practically Insoluble; Degree of Solubility in water: 7 g/l 20 °C; Very slightly soluble in Methanol
• Melt Point(°C): 253 °C
• Molecular Weight: 219.250 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 219.123 Da
• Monoisotopic Mass: 219.123 Da
• Topological Polar Surface Area: 109.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 214.000
• 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

References

1. Runyue Li, Daolei Lin, Zheng Zhao, Guofeng Tian, Shengli Qi, Dezhen Wu.  (2026)  Nearly “zero” shrinkage polyimide aerogel enabled by thiazine/imidazole in-situ co-catalyzed low-temperature imidization strategy for thermal insulation and electromagnetic transparency.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2026.174150]