2,4-Diaminopyrimidine - ≥98%(HPLC) , CAS No.156-81-0

CAS: 156-81-0 Cat. No.: D155135 Summenformel: C₄H₆N₄ Molekulargewicht: 110.12 EG-Nummer: 205-862-3

GRADE & PURITY ≥98%(HPLC)

Synonyms

CHEBI:43745 | SCHEMBL18583192 | BDBM50542901 | Pyrimidine,4-diamino- | Diaminopyrimidine | 2,4-Diaminopyrimidine | 2,4-diamino-pyrimidine | 4-HYDROXY-NAPHTHALENE-1-CARBOXYLICACIDMETHYLESTER | Z856211450 | EN300-154949 | 2,4-diaminopyrimidine-3n-oxide | A3

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyme

CHEBI:43745 | SCHEMBL18583192 | BDBM50542901 | Pyrimidine,4-diamino- | Diaminopyrimidine | 2,4-Diaminopyrimidine | 2,4-diamino-pyrimidine | 4-HYDROXY-NAPHTHALENE-1-CARBOXYLICACIDMETHYLESTER | Z856211450 | EN300-154949 | 2,4-diaminopyrimidine-3n-oxide | A3

Spezifikationen & Reinheit

≥98%(HPLC)

Storage

Argon charged,Room temperature

Verschickt in

Normal

Reinheit

≥98%(HPLC)

Namen und Kennungen

• Pubchem Sid: 488183932
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183932
• Kanonisches Lächeln: C1=CN=C(N=C1N)N
• IUPAC Name: pyrimidine-2,4-diamine
• InChIKey: YAAWASYJIRZXSZ-UHFFFAOYSA-N
• INCHI: 1S/C4H6N4/c5-3-1-2-7-4(6)8-3/h1-2H,(H4,5,6,7,8)
• Isomere SMILES: C1=CN=C(N=C1N)N
• WGK Deutschland: 3
• Molekulargewicht: 110.12
• Reaxy-Rn: 110676
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=110676&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminopyrimidines and derivatives
• Alternative Parents: Imidolactams Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aminopyrimidine - Imidolactam - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as aminopyrimidines and derivatives. These are organic compounds containing an amino group attached to a pyrimidine ring. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
• External Descriptors: aminopyrimidine

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

Zugehörige Ziele (menschlich)

DHFR Tclin Dihydrofolate reductase (3072 Activities)

Discover Target: DHFR

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Solubility in water: Completely soluble; Soluble in Methanol
• Empfindlichkeit: Air Sensitive
• Schmelzpunkt (°C): 149 °C
• Molekulargewicht: 110.120 g/mol
• XLogP3: -0.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 110.059 Da
• Monoisotopic Mass: 110.059 Da
• Topological Polar Surface Area: 77.800 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 74.400
• 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

Referenzen

1. Huanhuan Yang, Wenxin Xu, Lanting Xie, Han Wang, Xuhui Fang, Jian Qi, Jie Wang, Pan Hu, Sihui Zhan, Shuanglong Ma, Boqiang Gao.  (2025)  Efficient adsorption of trimethoprim on carboxymethyl lignin-based three-dimensional porous sponges: Qualitative and quantitative analysis of multiple interactions.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2025.171113]