2-Aminopyrimidine - ≥98% , CAS No.109-12-6

CAS: 109-12-6 Cat. No.: A109732 Summenformel: C₄H₅N₃ Molekulargewicht: 95.1 Beilstein Registry Number: 107014 EG-Nummer: 203-648-4

GRADE & PURITY ≥98%

Synonyms

Q27117919 | 2-Aminopyrimidine, 97% | AI3-24128 | 2(1H)-Pyrimidinimine, (E)- (9CI) | 2-aminopirimidina | 2-Pyrimidinamine | A927973 | SULFADIAZINE IMPURITY A [EP IMPURITY] | EINECS 203-648-4 | EN300-17309 | MB00175 | Pyrimidinamine | Sulfadiazine impurity

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

Synonyme

Q27117919 | 2-Aminopyrimidine, 97% | AI3-24128 | 2(1H)-Pyrimidinimine, (E)- (9CI) | 2-aminopirimidina | 2-Pyrimidinamine | A927973 | SULFADIAZINE IMPURITY A [EP IMPURITY] | EINECS 203-648-4 | EN300-17309 | MB00175 | Pyrimidinamine | Sulfadiazine impurity

Spezifikationen & Reinheit

≥98%

Storage

Protected from light,Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 488180637
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180637
• Kanonisches Lächeln: C1=CN=C(N=C1)N
• IUPAC Name: pyrimidin-2-amine
• InChIKey: LJXQPZWIHJMPQQ-UHFFFAOYSA-N
• INCHI: 1S/C4H5N3/c5-4-6-2-1-3-7-4/h1-3H,(H2,5,6,7)
• Isomere SMILES: C1=CN=C(N=C1)N
• WGK Deutschland: 3
• RTECS: UV6326000
• Molekulargewicht: 95.1
• Beilstein: 107014
• Reaxy-Rn: 107014
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=107014&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: Hydropyrimidines
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Hydropyrimidine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as hydropyrimidines. These are compounds containing a hydrogenated pyrimidine ring (i.e. containing less than the maximum number of double bonds.).
• 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)

HSP90AA1 Tchem Heat shock protein HSP 90-alpha (4115 Activities)

Discover Target: HSP90AA1

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

NCF1 Tbio Neutrophil cytosol factor 1 (245 Activities)

Discover Target: NCF1

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

Zugehörige Ziele (nicht menschlich)

Tec Tyrosine-protein kinase TEC (25 Activities)

Discover Target: Tec

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

botA Botulinum neurotoxin type A (1303 Activities)

Discover Target: botA

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in water; Soluble in Methanol
• Flammpunkt (°F): 103 °C
• Flammpunkt (°C): 103°C
• Siedepunkt (°C): 158°C
• Schmelzpunkt (°C): 127°C
• Molekulargewicht: 95.100 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 95.0483 Da
• Monoisotopic Mass: 95.0483 Da
• Topological Polar Surface Area: 51.800 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 48.900
• 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. Pei Chen, Hui Zhu, Tianhao Na, Yong Yi, Jian Zhou, Tao Duan, Jiehong Lei.  (2023)  Functionalized collagen fiber with specific recognition sites for highly efficient iodine capture: theoretical calculations and experimental verification.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2023.146660]

2. Yongshuang Huang, Jie Li, Meizhou Qi, Guifu Si, Chen Tan.  (2023)  In Situ Modification to Reinforce Isoprene Rubber by Sacrificial Bonds.  ACS Applied Polymer Materials,      [PMID:] [10.1021/acsapm.3c00304]

3. Yulin Sun, Saiyi Zhong, Qinqin Luo, Biao Yu, Jiangli Song, Dexin Tan.  (2022)  A vanillin-derived flame retardant based on 2-aminopyrimidine for enhanced flame retardancy and mechanical properties of epoxy resin.  POLYMERS FOR ADVANCED TECHNOLOGIES,  34  (1): (166-180).  [PMID:] [10.1002/pat.5875]

4. Bin Ou, Lemei Huang, Shi Su, Yanyan Huang, Zhijia Wang, Xiaobing Liu, Kui Wu.  (2025)  Experimental Study on Binary (Solid + Liquid) Equilibrium and Solubility Analysis of 2-Aminopyrimidine in 17 Organic Solvents at Temperatures Ranging from 272.65 to 323.35 K.  JOURNAL OF CHEMICAL AND ENGINEERING DATA,      [PMID:] [10.1021/acs.jced.4c00673]

Häufig gestellte Fragen

How should this product be stored?

Store at room temperature, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 109-12-6, the molecular formula is C4H5N3, and the molecular weight is 95.1 g/mol. InChIKey LJXQPZWIHJMPQQ-UHFFFAOYSA-N.

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.