| Canonical Smiles | C1=C(N=CN=C1I)N |
|---|---|
| IUPAC Name | 6-iodopyrimidin-4-amine |
| InChIKey | LQSJUQMCZHVKES-UHFFFAOYSA-N |
| INCHI | 1S/C4H4IN3/c5-3-1-4(6)8-2-7-3/h1-2H,(H2,6,7,8) |
| Isomeric SMILES | C1=C(N=CN=C1I)N |
| Molecular Weight | 221 |
| Reaxy-Rn | 111656 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=111656&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Diazines |
| Subclass | Pyrimidines and pyrimidine derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Halopyrimidines |
| Alternative Parents | Aminopyrimidines and derivatives Imidolactams Aryl iodides Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organoiodides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aminopyrimidine - Halopyrimidine - Aryl halide - Aryl iodide - Imidolactam - Heteroaromatic compound - Azacycle - Primary amine - Organonitrogen compound - Organoiodide - Organohalogen compound - Amine - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as halopyrimidines. These are aromatic compounds containing a halogen atom linked 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 | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 C2630270 | Certificate of Analysis | Jan 05, 2026 | A185060 |
| C2630271 | Certificate of Analysis | Jan 05, 2026 | A185060 |
| C2630272 | Certificate of Analysis | Jan 05, 2026 | A185060 |
| C2630295 | Certificate of Analysis | Jan 05, 2026 | A185060 |
| Molecular Weight | 221.000 g/mol |
|---|---|
| XLogP3 | 0.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 220.945 Da |
| Monoisotopic Mass | 220.945 Da |
| Topological Polar Surface Area | 51.800 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 77.700 |
| 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 |
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| 5. Juan Li, Boqiang Li, Huimei Pan, Yiya Wei, Yang Yang, Nan Xu, Baiyang Chen, Madjid Mohseni, Ehsan Banayan Esfahani. (2022) Total organic fluorine (TOF) analysis by completely converting TOF into fluoride with vacuum ultraviolet. JOURNAL OF HAZARDOUS MATERIALS, [PMID:35236042] [10.1016/j.jhazmat.2022.128389] |
| 6. Wenhui Ding, Xianjun Tan, Guanhan Chen, Jingyi Xu, Kuang Yu, Yuxiong Huang. (2021) Molecular-Level Insights on the Facet-Dependent Degradation of Perfluorooctanoic Acid. ACS Applied Materials & Interfaces, [PMID:34433258] [10.1021/acsami.1c10136] |
| 7. Jiaxin Zhu, Yihua Chen, Yurong Gu, Hang Ma, Mingyue Hu, Xinlei Gao, Tongzhou Liu. (2021) Feasibility study on the electrochemical reductive decomposition of PFOA by a Rh/Ni cathode. JOURNAL OF HAZARDOUS MATERIALS, [PMID:34449337] [10.1016/j.jhazmat.2021.126953] |
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