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CAS No.: | 3977-29-5 |
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Name: | 2-Amino-6-methyl-4-pyrimidinol |
Article Data: | 41 |
Molecular Structure: | |
Formula: | C5H7N3O |
Molecular Weight: | 125.13 |
Synonyms: | 4(1H)-Pyrimidinone,2-amino-6-methyl- (8CI,9CI);4-Pyrimidinol, 2-amino-6-methyl- (6CI,7CI);2-Amino-4-methyl-6-hydroxypyrimidine;2-Amino-4-oxo-6-methylpyrimidine;2-Amino-6-hydroxy-4-methylpyrimidine;2-Amino-6-methyl-4(1H)-pyrimidinone;2-Amino-6-methyl-4-oxopyrimidine;2-Amino-6-methyl-4-pyrimidinol;2-Amino-6-methyl-4-pyrimidinone;2-Amino-6-methylpyrimidin-4(3H)-one;2-Amino-6-methylpyrimidin-4-ol;4-Hydroxy-6-methyl-2-pyrimidinamine;4-Methylisocytosine;6-Methylisocytosine;Mecytosine;NSC 13145;NSC 23662;NSC41833;NSC 7893;Superacil;Superacyl; |
EINECS: | 223-612-1 |
Density: | 1.44 g/cm3 |
Melting Point: | >300 °C(lit.) |
Boiling Point: | 253.4 °C at 760 mmHg |
Flash Point: | 107.1 °C |
Appearance: | White powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 24/25-36/37/39-26-22 |
PSA: | 72.03000 |
LogP: | 0.65400 |
3-methoxy-but-2-enoic acid ethyl ester
guanidine hydrochloride
2-amino-6-methylpyrimidin-4-ol
Conditions | Yield |
---|---|
In methanol at 100℃; for 3h; Solvent; | 62.1% |
Conditions | Yield |
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In ethanol; acetone at 20℃; for 10h; | 52% |
Conditions | Yield |
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In ethanol Heating; |
guanidine hydrochloride
acetoacetic acid methyl ester
2-amino-6-methylpyrimidin-4-ol
Conditions | Yield |
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With potassium tert-butylate In methanol at 23 - 60℃; |
Conditions | Yield |
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With potassium n-butoxide In butan-1-ol |
Conditions | Yield |
---|---|
With trichlorophosphate for 2h; Reflux; | 98% |
With trichlorophosphate Heating; | |
With tetraethylammonium chloride; N,N-dimethyl-aniline; trichlorophosphate In acetonitrile at 110℃; for 0.333333h; |
2-amino-6-methylpyrimidin-4-ol
1,1'-carbonyldiimidazole
N-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-imidazole-1-carboxamide
Conditions | Yield |
---|---|
In dimethyl sulfoxide at 80℃; for 1h; | 98% |
2-amino-6-methylpyrimidin-4-ol
Hexamethylene diisocyanate
2-(6-isocyanato-hexylaminocarbonylamino)-6-methyl-4(1H)-pyrimidinone
Conditions | Yield |
---|---|
at 100℃; for 16h; | 98% |
at 100℃; for 12h; Inert atmosphere; | 90% |
Conditions | Yield |
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In tetrahydrofuran for 48h; Heating; | 97% |
97% |
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The 2-Amino-4-hydroxy-6-methylpyrimidine with the cas number 3977-29-5. It is also called (1)2-Amino-6-methylpyrimidin-4-ol ; (2)4-Methylisocytosine ; (3)6-Methylisocytosine ; (4)4(1H)-Pyrimidinone, 2-amino-6-methyl- . It belongs to the following product categories: (1)Pyrimidine; (2)Fluorobenzene; (3)Amines; (4)Pyrimidines
Properties of 2-Amino-4,6-Dimethylpyrimidine : (1)ACD/LogP: 0.70 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): 0.64 ; (4)ACD/LogD (pH 7.4): 0.7 ; (5)ACD/BCF (pH 5.5): 1.74 ; (6)ACD/BCF (pH 7.4): 2 ; (7)ACD/KOC (pH 5.5): 49.7 ; (8)ACD/KOC (pH 7.4): 57.15 ; (9)#H bond acceptors: 3 ; (10)#H bond donors: 2 ; (11)#Freely Rotating Bonds: 0 ; (12)Polar Surface Area: 29.02 Å2 ; (13)Index of Refraction: 1.569 ; (14)Molar Refractivity: 36.32 cm3 ; (15)Molar Volume: 110.7 cm3 ; (16)Polarizability: 14.39 ×10-24cm3 ; (17)Surface Tension: 51.5 dyne/cm ; (18)Density: 1.112 g/cm3 ; (19)Flash Point: 156.7 °C ; (20)Enthalpy of Vaporization: 53.37 kJ/mol ; (21)Boiling Point: 294 °C at 760 mmHg ; (22)Vapour Pressure: 0.00166 mmHg at 25°C
The 2-Amino-4-hydroxy-6-methylpyrimidine seems like white powder. It is quite irritating to eyes, respiratory system and skin. When you are using this chemical, please wear suitable gloves and eye/face protection to avoid contact with skin and eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
The 2-amino-6-methyl-5-nitro-3H-pyrimidin-4-one can be obatined from 2-Amino-4-hydroxy-6-methylpyrimidine in conc. HNO3, conc. H2SO4 as reagents, with ambient temperature for 3 hour(s). Yield is 48 % .
The 2-Amino-4-hydroxy-6-methylpyrimidine can also be obtained from 2-methoxy-6-methyl-3H-pyrimidin-4-one with heating for 24 hour(s). Yield is 52 % .
You can still convert the following datas into molecular structure :
1. SMILES: O=C/1/N=C(/N)N\C(=C\1)C
2. InChI: InChI=1/C5H7N3O/c1-3-2-4(9)8-5(6)7-3/h2H,1H3,(H3,6,7,8,9)
Toxic information of 2-Amino-4-hydroxy-6-methylpyrimidine can be showed as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
rat | LDLo | oral | 11gm/kg (11000mg/kg) | BEHAVIORAL: TREMOR GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" | National Technical Information Service. Vol. OTS0540498, |