CAS No.108-52-1,2-AMINO-4-METHYLPYRIMIDINE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	108-52-1
Name:	2-AMINO-4-METHYLPYRIMIDINE
Article Data:	54

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

Synthetic route

: 17321-93-6
5-bromo-4-methylpyrimidine-2-ylamine

: 73183-34-3
bis(pinacol)diborane

A: 108-52-1
4-Methyl-pyrimidin-2-ylamin

B: 944401-55-2
4-methyl-5-(4,4,5,5-tetramethyl (1,3,2-dioxaborolan-2-yl))pyrimidine-2-ylamine

Conditions

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;

...Expand

: 5436-21-5
acetylacetaldehyde dimethyl acetal

: 50-01-1
guanidine hydrochloride

: 108-52-1
4-Methyl-pyrimidin-2-ylamin

Conditions

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

: 5930-98-3
4-trimethylsilyl-3-butyn-2-one

: 50-01-1
guanidine hydrochloride

: 108-52-1
4-Methyl-pyrimidin-2-ylamin

Conditions

Conditions	Yield
With sodium carbonate In acetonitrile at 120℃; for 0.666667h; microwave irradiation;	90%

: 5600-21-5
2-amino-6-methyl-4-chloropyrimidine

: 108-52-1
4-Methyl-pyrimidin-2-ylamin

Conditions

Conditions	Yield
With water; zinc
bei der elektrochemischen Reduktion an einer Zink-Kathode;
With potassium hydroxide; palladium on activated charcoal Hydrogenation;

: 593-85-1
diguanidine carbonate

: 119490-02-7
3-(4-morpholinyl)-3-buten-2-one

: 108-52-1
4-Methyl-pyrimidin-2-ylamin

Conditions

Conditions	Yield
In 5,5-dimethyl-1,3-cyclohexadiene

guanidine salt of/the/ compound: guanidine salt of/the/ compound

: 108-52-1
4-Methyl-pyrimidin-2-ylamin

Conditions

Conditions	Yield
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

: 81633-29-6
2-amino-4-methylpyrimidine-5-carboxylic acid ethyl ester

: 108-52-1
4-Methyl-pyrimidin-2-ylamin

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 93 percent / KOH / methanol / 5 h / Heating 2: 83 percent / 2 h / Heating View Scheme

: 134653-70-6, 51145-57-4
ethyl 2-[(dimethylamino)methylene]-3-oxobutanoate

: 108-52-1
4-Methyl-pyrimidin-2-ylamin

Conditions

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

: 769-51-7
2-amino-4-methylpyrimidine-5-carboxylic acid

: 108-52-1
4-Methyl-pyrimidin-2-ylamin

Conditions

Conditions	Yield
for 2h; Heating;	83%

: 5424-21-5
2,4-dichloro-6-methylpyrimidine

: 108-52-1
4-Methyl-pyrimidin-2-ylamin

Conditions

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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Specification

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.