HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-Amino-4-methylpyrimidine
4-methylpyrimidin-2-amine · TIMTEC-BB SBB004343 · AMINO-4-METHYLPYRIMIDINE · 6-Methyl-2-pyrimidinamine · 4-Methyl-2-pyrimidinamine · 2-AMINO-4-METHYLPYRIMIDINE · 2-amino-4-methyl-pyrimidin · 2-Pyrimidinamine, 4-methyl-
Identifiers & Physical Properties
| CAS No. | 108-52-1 |
|---|---|
| Molecular formula | C5H7N3 |
| Average molar mass | 109.13 g/mol |
| Monoisotopic mass | 109.06399722 g/mol |
| SMILES | Cc1ccnc(N)n1 |
| InChIKey | GHCFWKFREBNSPC-UHFFFAOYSA-N |
| PubChem CID | 7939 |
| ChEBI | CHEBI:170014 |
| EC No. | 203-591-5 |
| DTXSID | DTXSID90148349 |
Chemical & Physical Properties
| XLogP | 0.3 |
|---|---|
| Topological polar surface area | 51.8 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 0 |
| Heavy atoms | 8 |
| Formal charge | 0 |
| Complexity | 74.1 |
| SpringerMaterials Properties | Diamagnetic susceptibility |
| Melting point | 158-160 °C(lit.) |
| Boiling point | 194.6°C (rough estimate) |
| Density | 1 g/cm3 |
| Refractive index | 1.5340 (estimate) |
| Storage conditions | Keep in dark place,Inert atmosphere,Room temperature |
| Solubility | DMSO (Slightly), Methanol (Slightly) |
| Physical state | Crystalline Powder |
| pKa (acidity coefficient) | pK1: 4.11(+1) (20°C) |
| Color | Off-white to light brown |
| BRN | 108506 |
| CAS DataBase Reference | 108-52-1(CAS DataBase Reference) |
| EWG's Food Scores | 1 |
| FDA UNII | ZEQ6ZS0OOC |
| NIST Chemistry Reference | 2-Amino-4-methylpyrimidine(108-52-1) |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H335-H315-H319 |
| GHS precautionary statements | P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P305+P351+P338-P261-P280a-P304+P340-P405-P501a |
| Hazard symbols | Xi |
| Risk statements (R) | 36/37/38 |
| Safety statements (S) | 26-36 |
| Water hazard class (WGK) | 3 |
| RTECS number | UV6485000 |
| Hazard Note | Irritant |
| Customs code | 29335990 |
Safety & Regulations
| GHS classification | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatory information | 2-Pyrimidinamine, 4-methyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Water hazard class (WGK) | 3 |
| RTECS number | UV6485000 |
| Customs code | 29335990 |
| Risk statements (R) | 36/37/38 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi |
| hazard_note | Irritant |
| Safety statements (S) | 26-36 |
| GHS hazard statements | H335-H315-H319 |
| GHS precautionary statements | P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P305+P351+P338-P261-P280a-P304+P340-P405-P501a |
Applications & Uses
Uses
2-Amino-4-methylpyrimidine is a compound involved in a study about carbonylation as a key reaction in anaerobic acetone activation by Desulfococcus biacutus. 2-Amino-4-methylpyrimidine is formed as the product of a reaction between acetoacetaldehyde and guanidine.