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

CAS: 109-12-6 Cat. No.: A109732 Molecular Weight: 95.1 Beilstein Registry Number: 107014 EC Number: 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

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

Specifications & Purity

≥98%

Storage

Protected from light, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488180637
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180637
• Canonical Smiles: 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)
• Isomeric SMILES: C1=CN=C(N=C1)N
• WGK Germany: 3
• RTECS: UV6326000
• Molecular Weight: 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
    • Class Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Associated Targets(Human)

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

Associated Targets(non-human)

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water; Soluble in Methanol
• Flash Point(°F): 103 °C
• Flash Point(°C): 103°C
• Boil Point(°C): 158°C
• Melt Point(°C): 127°C
• Molecular Weight: 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

References

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]