HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-Amino-4,6-dimethyl pyrimidine
4,6-DIMETHYLPYRIMIDIN-2-AMINE · ADLP · inx-993 · NSC 3278 · AKOS MSC-0099 · TIMTEC-BB SBB004275 · 2-Amino-4,6-dimethyl · 6-diMethylpyriMidine
Identifiers & Physical Properties
| CAS No. | 767-15-7 |
|---|---|
| Molecular formula | C6H9N3 |
| Average molar mass | 123.16 g/mol |
| Monoisotopic mass | 123.07964729 g/mol |
| SMILES | Cc1cc(C)nc(N)n1 |
| InChIKey | IDQNBVFPZMCDDN-UHFFFAOYSA-N |
| PubChem CID | 13021 |
| ChEMBL | CHEMBL4546836 |
| ChEBI | CHEBI:181699 |
| EC No. | 212-181-5 |
| DTXSID | DTXSID8052510 |
Chemical & Physical Properties
| XLogP | 0.7 |
|---|---|
| Topological polar surface area | 51.8 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 0 |
| Heavy atoms | 9 |
| Formal charge | 0 |
| Complexity | 84.3 |
| SpringerMaterials Properties | 15N nuclear magnetic resonance spectrum |
| Pesticides | Environmental transformation -> Pesticide transformation products (metabolite, successor) |
| Collision Cross Section | 123.0 Ų [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID8052510] |
| Melting point | 151-153 °C (lit.) |
| Boiling point | 219.27°C (rough estimate) |
| Density | 1.1097 (rough estimate) |
| Refractive index | 1.5589 (estimate) |
| Storage conditions | Keep in dark place,Inert atmosphere,2-8°C |
| Solubility | Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly) |
| Physical state | Crystalline Powder |
| pKa (acidity coefficient) | 5.11±0.10(Predicted) |
| Color | White to beige |
| BRN | 110735 |
| InChI | 1S/C6H9N3/c1-4-3-5(2)9-6(7)8-4/h3H,1-2H3,(H2,7,8,9) |
| InChIKey | IDQNBVFPZMCDDN-UHFFFAOYSA-N |
| SMILES | Cc1cc(C)nc(N)n1 |
| CAS DataBase Reference | 767-15-7(CAS DataBase Reference) |
| FDA UNII | 4S48MI253M |
| NIST Chemistry Reference | 2-Pyrimidinamine, 4,6-dimethyl-(767-15-7) |
| EPA Substance Registry System | 2-Amino-4,6-dimethylpyrimidine (767-15-7) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H335-H315-H302-H319 |
| GHS precautionary statements | P305+P351+P338-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P405-P501a |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Hazard symbols | Xn,Xi |
| Risk statements (R) | 22-36/37/38 |
| Safety statements (S) | 37/39-26 |
| Water hazard class (WGK) | 3 |
| RTECS number | UV6260496 |
| Hazard Note | Irritant |
| TSCA inventory status | TSCA listed |
| Customs code | 29335995 |
| Storage class | 11 - Combustible Solids |
Safety & Regulations
| GHS classification | WarningH302 (86.7%): 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 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatory information | Chemical: 2-Pyrimidinamine, 4,6-dimethyl- |
| Hazard Classes and Categories | Acute Tox. 4 (86.7%) |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Water hazard class (WGK) | 3 |
| TSCA inventory status | TSCA listed |
| RTECS number | UV6260496 |
| Customs code | 29335995 |
| Risk statements (R) | 22-36/37/38 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xn,Xi |
| hazard_note | Irritant |
| Safety statements (S) | 37/39-26 |
| Storage class | 11 - Combustible Solids |
| GHS hazard statements | H335-H315-H302-H319 |
| GHS precautionary statements | P305+P351+P338-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P405-P501a |
Applications & Uses
Uses
2-Amino-4,6-dimethylpyrimidine is a bioactive compound.