Purine - ≥98% , CAS No.120-73-0

CAS: 120-73-0 Cat. No.: P166509 Molecular Weight: 120.11 Beilstein Registry Number: 3200 EC Number: 204-421-2 PubChem CID: 1044

GRADE & PURITY ≥98%

Synonyms

EINECS 204-421-2 | Imidazo(4,5-d)pyrimidine | s6359 | {6H-Imidazo[4,5-d]pyrimidine} | 3H-purine | AKOS015913555 | CHEBI:17258 | Imidazo[4,5-d]pyrimidine | Purine | CHEBI:35586 | UNII-W60KTZ3IZY | 9H-Purine | NSC 753 | AM20080144 | SY064527 | Purine, 98% |

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Purine is a heterocyclic organic compound constituting a pyrimidine ring fused to an imidazole ring.

Purine can undergo direct C-H functionalization in the presence of palladium catalyst to form various biologically important products.

Specifications

Synonyms

EINECS 204-421-2 | Imidazo(4, 5-d)pyrimidine | s6359 | {6H-Imidazo[4, 5-d]pyrimidine} | 3H-purine | AKOS015913555 | CHEBI:17258 | Imidazo[4, 5-d]pyrimidine | Purine | CHEBI:35586 | UNII-W60KTZ3IZY | 9H-Purine | NSC 753 | AM20080144 | SY064527 | Purine, 98% |

Specifications & Purity

≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488179592
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488179592
• Canonical Smiles: C1=C2C(=NC=N1)N=CN2
• IUPAC Name: 7H-purine
• InChIKey: KDCGOANMDULRCW-UHFFFAOYSA-N
• INCHI: 1S/C5H4N4/c1-4-5(8-2-6-1)9-3-7-4/h1-3H,(H,6,7,8,9)
• Isomeric SMILES: C1=C2C(=NC=N1)N=CN2
• WGK Germany: 3
• RTECS: UO7450000
• PubChem CID: 1044
• Molecular Weight: 120.11
• Beilstein: 3200

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Imidazopyrimidines
      • Subclass Purines and purine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Imidazopyrimidines
• Subclass: Purines and purine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Purines and purine derivatives
• Alternative Parents: Pyrimidines and pyrimidine derivatives Imidazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Purine - Pyrimidine - Heteroaromatic compound - Imidazole - Azole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as purines and purine derivatives. These are aromatic heterocyclic compounds containing a purine moiety, which is formed a pyrimidine-ring ring fused to an imidazole ring.
• External Descriptors: a ring

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water.
• Melt Point(°C): 214-217 °C
• Molecular Weight: 120.110 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 120.044 Da
• Monoisotopic Mass: 120.044 Da
• Topological Polar Surface Area: 54.500 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 105.000
• 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. Yintao Li, Zisheng Luo, Gangfeng Li, Tarun Belwal, Li Li, Yanqun Xu, Bin Su, Xingyu Lin.  (2021)  Interference-free Detection of Caffeine in Complex Matrices Using a Nanochannel Electrode Modified with Binary Hydrophilic–Hydrophobic PDMS.  ACS Sensors,      [PMID:33752324] [10.1021/acssensors.1c00004]

2. Chunjing Zhang, Shihui Si, Zhengpeng Yang.  (2014)  A highly selective photoelectrochemical biosensor for uric acid based on core–shell Fe3O4@C nanoparticle and molecularly imprinted TiO2.  BIOSENSORS & BIOELECTRONICS,      [PMID:25461147] [10.1016/j.bios.2014.10.013]

3. Ji An-Lan, Ding Rui, Liang Xuan, Liu Xiao, Zhang Yu-Chen, Wang Yu-Han, Zhang Yu-Lin, Lei Ming-Di, Zhang Yi-Wen, Fu Jie, Wang Wei-Jie, Liu Jie.  (2025)  Unlocking superior corrosion inhibition in HCl: thiol-functionalized purine derivatives outperform amino analogues via synergistic electrochemical and quantum mechanisms.  Reaction Kinetics Mechanisms and Catalysis,      [PMID:] [10.1007/s11144-025-02814-2]

4. Cuiying Lin, Yang Liu, Weiqi Wan, Junbo Gao, Lianli Sun.  (2025)  Deciphering the bidirectional catalytic mechanism of HGPRT from Mycobacterium tuberculosis: Functional mapping of key active-site residues.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,      [PMID:40692061] [10.1016/j.ijbiomac.2025.146122]

5. Qamar-un-Nisa Tariq, Maher-un-Nisa Tariq, Saira Manzoor, Qiyao Yu, Jian-Guo Zhang.  (2025)  Development of super-heat-resistant purine-based coordination polymers for applications in energetic materials.  DALTON TRANSACTIONS,      [PMID:40720132] [10.1039/D5DT01509J]

6. Zhao Kaiyue, Xiang Ningyao, Wang Yu-Qi, Ye Jinyu, Jin Zihan, Fu Linke, Chang Xiaoxia, Wang Dong, Xiao Hai, Xu Bingjun.  (2025)  A molecular design strategy to enhance hydrogen evolution on platinum electrocatalysts.  Nature Energy,      [PMID:] [10.1038/s41560-025-01754-4]

7. Tong Mu, Yudie Hu, Li Wen, Li Ding, Maolong Chen, Yunhui Cheng, Li Yao, Zhou Xu.  (2025)  Magnetic relaxation switching sensor based on self-generated porous Fe3O4 with controllable apparent diffusion coefficient for highly sensitive detection of caffeine.  TALANTA,      [PMID:40311476] [10.1016/j.talanta.2025.128230]