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

CAS: 109-12-6 Cat. No.: A109732 Formule: C₄H₅N₃ Poids moléculaire: 95.1 Beilstein Registry Number: 107014 Numéro CE: 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

Synonymes

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

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Protected from light,Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Pubchem Sid

488180637

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180637

Sourires canoniques

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)

Isomères SMILES

C1=CN=C(N=C1)N

WGK Allemagne

3

RTECS

UV6326000

Poids moléculaire

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
    • Classe Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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

Cibles associées (humaines)

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

Cibles associées (non humaines)

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in water; Soluble in Methanol
• Point d'éclair (°F): 103 °C
• Point d'éclair (°C): 103°C
• Point d'ébullition (°C): 158°C
• Point de fusion (°C): 127°C
• Poids moléculaire: 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

Foire aux questions

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.