| Canonical Smiles | CNC1=NC=C(C=N1)I |
|---|---|
| IUPAC Name | 5-iodo-N-methylpyrimidin-2-amine |
| InChIKey | JNEAWFSSFYRAMO-UHFFFAOYSA-N |
| INCHI | 1S/C5H6IN3/c1-7-5-8-2-4(6)3-9-5/h2-3H,1H3,(H,7,8,9) |
| Isomeric SMILES | CNC1=NC=C(C=N1)I |
| PubChem CID | 13261511 |
| Molecular Weight | 235.03 |
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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 | Secondary alkylarylamines Aminopyrimidines and derivatives Aryl iodides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organoiodides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aminopyrimidine - Halopyrimidine - Secondary aliphatic/aromatic amine - Aryl halide - Aryl iodide - Heteroaromatic compound - Azacycle - Secondary 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 |
| Molecular Weight | 235.030 g/mol |
|---|---|
| XLogP3 | 1.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 234.961 Da |
| Monoisotopic Mass | 234.961 Da |
| Topological Polar Surface Area | 37.800 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 80.300 |
| 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 |
