HuagongsheHuagongshe Chemistry Print Report · For research reference only
2,6-Dimethyl-4-aminopyrimidine
2,6-Dimethylpyrimidin-4-amine · KYANMETHIN · Cyanmethine · Kyanmethine · AKOS B029847 · AKOS BC-0719 · Cyanomethine · 4-Amino-2,6-dimethyL
Identifiers & Physical Properties
| CAS No. | 461-98-3 |
|---|---|
| Molecular formula | C6H9N3 |
| Average molar mass | 123.16 g/mol |
| Monoisotopic mass | 123.07964729 g/mol |
| SMILES | Cc1cc(N)nc(C)n1 |
| InChIKey | BJJDXAFKCKSLTE-UHFFFAOYSA-N |
| PubChem CID | 68039 |
| EC No. | 207-320-1 |
| DTXSID | DTXSID50196725 |
Chemical & Physical Properties
| XLogP | 0.4 |
|---|---|
| Topological polar surface area | 51.8 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 0 |
| Heavy atoms | 9 |
| Formal charge | 0 |
| Complexity | 94.3 |
| LogP (partition coefficient) | 0.39 |
| Melting point | 184-186°C |
| Boiling point | 254 °C |
| Density | 1.1097 (rough estimate) |
| Refractive index | 1.5589 (estimate) |
| Storage conditions | Keep in dark place,Inert atmosphere,Room temperature |
| Solubility | DMSO6.4g/L(18 ºC) |
| Physical state | Solid |
| pKa (acidity coefficient) | 7.24±0.10(Predicted) |
| Color | White to Off-White |
| Merck | 14,5326 |
| InChIKey | BJJDXAFKCKSLTE-UHFFFAOYSA-N |
| CAS DataBase Reference | 461-98-3(CAS DataBase Reference) |
| FDA UNII | 3MM3JQH7MX |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H335-H315-H319 |
| GHS precautionary statements | P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313 |
| Hazard symbols | Xn |
| Risk statements (R) | 36/37/38-20/21/22-22 |
| Safety statements (S) | 26-36/37/39-36 |
| Customs code | 29335990 |
Safety & Regulations
| GHS classification | WarningH302 (14.3%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatory information | Chemical: 4-Pyrimidinamine, 2,6-dimethyl- |
| Other safety information | Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia |
| Hazard Classes and Categories | Acute Tox. 4 (14.3%) |
| Customs code | 29335990 |
| Risk statements (R) | 36/37/38-20/21/22-22 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xn |
| Safety statements (S) | 26-36/37/39-36 |
| GHS hazard statements | H335-H315-H319 |
| GHS precautionary statements | P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313 |
Applications & Uses
Uses
4-AMINO-2,6-DIMETHYLPYRIMIDINE is used as pharmaceutical intermediate. Used in the production of sulfadimethylisopyrimidine. During production, it is condensed with acetaminobenzenesulfonyl chloride (ASC) to give 6-acetaminobenzenesulfonylamino-2,4-dimethylpyrimidine, which is then hydrolyzed to obtain sulfadimethylisopyrimidine.