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CAS No.: | 108-52-1 |
---|---|
Name: | 2-AMINO-4-METHYLPYRIMIDINE |
Article Data: | 54 |
Molecular Structure: | |
Formula: | C5H7N3 |
Molecular Weight: | 109.131 |
Synonyms: | 6-Methyl-2-pyrimidinamine;4-Methyl-2-aminopyrimidine;4-Methyl-2-pyrimidinamine;NSC 1939;Pyrimidine,2-amino-4-methyl- (6CI,7CI,8CI);2-Amino-6-methylpyrimidine; |
EINECS: | 203-591-5 |
Density: | 1.155 g/cm3 |
Melting Point: | 158-160 °C(lit.) |
Boiling Point: | 283.4 °C at 760 mmHg |
Flash Point: | 149.9 °C |
Appearance: | off-white to light brown crystalline powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 51.80000 |
LogP: | 0.94840 |
5-bromo-4-methylpyrimidine-2-ylamine
bis(pinacol)diborane
A
4-Methyl-pyrimidin-2-ylamin
B
4-methyl-5-(4,4,5,5-tetramethyl (1,3,2-dioxaborolan-2-yl))pyrimidine-2-ylamine
Conditions | Yield |
---|---|
With potassium acetate; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2 In 1,4-dioxane at 115℃; for 18.25h; Heating / reflux; | |
With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium acetate In 1,4-dioxane at 115℃; for 18h; Inert atmosphere; | |
With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium acetate In 1,4-dioxane at 115℃; for 16h; Suzuki Coupling; Inert atmosphere; Overall yield = 40 mg; |
acetylacetaldehyde dimethyl acetal
guanidine hydrochloride
4-Methyl-pyrimidin-2-ylamin
Conditions | Yield |
---|---|
Stage #1: guanidine hydrochloride With sodium methylate In toluene at 28 - 35℃; for 2h; Stage #2: acetylacetaldehyde dimethyl acetal In toluene at 55 - 110℃; for 3h; Reagent/catalyst; Solvent; | 77 g |
4-trimethylsilyl-3-butyn-2-one
guanidine hydrochloride
4-Methyl-pyrimidin-2-ylamin
Conditions | Yield |
---|---|
With sodium carbonate In acetonitrile at 120℃; for 0.666667h; microwave irradiation; | 90% |
Conditions | Yield |
---|---|
With water; zinc | |
bei der elektrochemischen Reduktion an einer Zink-Kathode; | |
With potassium hydroxide; palladium on activated charcoal Hydrogenation; |
diguanidine carbonate
3-(4-morpholinyl)-3-buten-2-one
4-Methyl-pyrimidin-2-ylamin
Conditions | Yield |
---|---|
In 5,5-dimethyl-1,3-cyclohexadiene |
4-Methyl-pyrimidin-2-ylamin
Conditions | Yield |
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With but-1-en-3-ynyl-methyl ether; sulfuric acid | |
With ethyl-but-1-en-3-ynyl ether; sulfuric acid | |
With chromium(III) oxide; sulfuric acid; but-3-yn-2-ol |
2-amino-4-methylpyrimidine-5-carboxylic acid ethyl ester
4-Methyl-pyrimidin-2-ylamin
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 93 percent / KOH / methanol / 5 h / Heating 2: 83 percent / 2 h / Heating View Scheme |
ethyl 2-[(dimethylamino)methylene]-3-oxobutanoate
4-Methyl-pyrimidin-2-ylamin
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: 81 percent / NaOEt / ethanol / 1 h / Heating 2: 93 percent / KOH / methanol / 5 h / Heating 3: 83 percent / 2 h / Heating View Scheme |
Conditions | Yield |
---|---|
for 2h; Heating; | 83% |
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: NH3 2: palladium/SrCO3; aqueous KOH; acetone / Hydrogenation View Scheme | |
Multi-step reaction with 2 steps 1: alcohol; ammonia / im Rohr 2: zinc dust; water View Scheme |
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The 2-Pyrimidinamine,4-methyl- is an organic compound with the formula C5H7N3. The IUPAC name of this chemical is 4-methylpyrimidin-2-amine. With the CAS registry number 108-52-1 and EINECS 203-591-5, it is also named as 6-Methyl-2-pyrimidinamine. The product's categoriesare Pyrimidine; Pyridines, Pyrimidines, Purines and Pteredines; Building Blocks; Heterocyclic Building Blocks. It is off-white to light brown crystalline powder which must be kept away from oxide. Additionally, this chemical should be stored in the cool and dry place.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 0.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.21; (4)ACD/LogD (pH 7.4): 0.24; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 30.17; (8)ACD/KOC (pH 7.4): 32.15; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.581; (13)Molar Refractivity: 31.49 cm3; (14)Molar Volume: 94.4 cm3; (15)Polarizability: 12.48×10-24 cm3; (16)Surface Tension: 56.6 dyne/cm; (17)Enthalpy of Vaporization: 52.23 kJ/mol; (18)Vapour Pressure: 0.00317 mmHg at 25°C; (19)Tautomer Count: 6; (20)Exact Mass: 109.063997; (21)MonoIsotopic Mass: 109.063997; (22)Topological Polar Surface Area: 51.8; (23)Heavy Atom Count: 8; (24)Complexity: 74.1.
Uses of 2-Pyrimidinamine,4-methyl-: It can react with 2-benzoylamino-3-dimethylamino-acrylic acid methyl ester to get methyl (Z)-2-benzoylamino-3-(4-methyl-2-pyrimidinyl)aminopropenoate. This reaction needs solvents ethanol and aq. HCl. The reaction time is 3 hours. The yield is 92%.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing.
People can use the following data to convert to the molecule structure.
1. SMILES:n1c(ccnc1N)C
2. InChI:InChI=1/C5H7N3/c1-4-2-3-7-5(6)8-4/h2-3H,1H3,(H2,6,7,8)
3. InChIKey:GHCFWKFREBNSPC-UHFFFAOYAO
The following are the toxicity data which has been tested.
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
rat | LD50 | intravenous | 730mg/kg (730mg/kg) | Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und Pharmakologie. Vol. 211, Pg. 367, 1950. |