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3977-29-5

Basic Information
CAS No.: 3977-29-5
Name: 2-Amino-6-methyl-4-pyrimidinol
Article Data: 41
Molecular Structure:
Molecular Structure of 3977-29-5 (2-Amino-6-methyl-4-pyrimidinol)
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: IrritantXi
Risk Codes: 36/37/38
Safety: 24/25-36/37/39-26-22
PSA: 72.03000
LogP: 0.65400
Synthetic route

2-amino-6-methylpyrimidin-4-ol

2-amino-6-methylpyrimidin-4-ol

3510-99-4

3-methoxy-but-2-enoic acid ethyl ester

50-01-1

guanidine hydrochloride

3977-29-5

2-amino-6-methylpyrimidin-4-ol

Conditions
ConditionsYield
In methanol at 100℃; for 3h; Solvent;62.1%

113-00-8

guanidine nitrate

3977-29-5

2-amino-6-methylpyrimidin-4-ol

Conditions
ConditionsYield
In ethanol; acetone at 20℃; for 10h;52%
593-85-1

diguanidine carbonate

141-97-9

ethyl acetoacetate

3977-29-5

2-amino-6-methylpyrimidin-4-ol

Conditions
ConditionsYield
In ethanol Heating;
50-01-1

guanidine hydrochloride

105-45-3

acetoacetic acid methyl ester

3977-29-5

2-amino-6-methylpyrimidin-4-ol

Conditions
ConditionsYield
With potassium tert-butylate In methanol at 23 - 60℃;
506-93-4

guanidine nitrate

141-97-9

ethyl acetoacetate

3977-29-5

2-amino-6-methylpyrimidin-4-ol

Conditions
ConditionsYield
With potassium n-butoxide In butan-1-ol
3977-29-5

2-amino-6-methylpyrimidin-4-ol

5600-21-5

2-amino-6-methyl-4-chloropyrimidine

Conditions
ConditionsYield
With trichlorophosphate for 2h; Reflux;98%
With trichlorophosphate Heating;
With tetraethylammonium chloride; N,N-dimethyl-aniline; trichlorophosphate In acetonitrile at 110℃; for 0.333333h;
3977-29-5

2-amino-6-methylpyrimidin-4-ol

530-62-1

1,1'-carbonyldiimidazole

561316-60-7

N-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-imidazole-1-carboxamide

Conditions
ConditionsYield
In dimethyl sulfoxide at 80℃; for 1h;98%
3977-29-5

2-amino-6-methylpyrimidin-4-ol

822-06-0

Hexamethylene diisocyanate

320393-85-9

2-(6-isocyanato-hexylaminocarbonylamino)-6-methyl-4(1H)-pyrimidinone

Conditions
ConditionsYield
at 100℃; for 16h;98%
at 100℃; for 12h; Inert atmosphere;90%
3158-26-7

1-isocyanatooctane

3977-29-5

2-amino-6-methylpyrimidin-4-ol

1-(6-methyl-4-oxo-1,4-dihydropyrimidin-2-yl)-3-octylurea

Conditions
ConditionsYield
In tetrahydrofuran for 48h; Heating;97%
97%
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History

Stability and Reactivity of 2-Amino-6-methyl-4-pyrimidinol(3977-29-5): 
Conditions to Avoid: Incompatible materials.
Chemical Stability: Stable under normal temperatures and pressures.
Incompatibilities with Other Materials: Strong oxidizing agents.
Hazardous Polymerization: Has not been reported.
Hazardous Decomposition Products: Irritating and toxic fumes and gases.

Specification

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,