| Identification | More | [Name]
2-Amino-6-methyl-4-pyrimidinol | [CAS]
3977-29-5 | [Synonyms]
2-AMINO-4-HYDROXY-6-METHYLPYRIMIDINE
2-AMINO-4-METHYL-6-HYDROXYPYRIMIDINE
2-AMINO-6-METHYL-4-PYRIMIDINOL
2-AMINO-6-METHYLPYRIMIDIN-4-OL
6-METHYLISOCYTOSINE
AHLP
1n-10718
1n-22636
2-Amino-4-hydroxy-4-methylpyrimidine
2-amino-6-methyl-4(1h)-pyrimidinon
2-amino-6-methyl-4(1h)-pyrimidinone
2-amino-6-methyl-4-pyrimidino
4(1H)-Pyrimidinone, 2-amino-6-methyl-
4-Methylisocytosine
Mecytosine
n.b.e-43094-20
Superacil
Superacyl
2-AMINO-4-HYDROXY-6-METHYLPYRIMIDINE, 98 %
4(1H)-Pyrimidinone, 2-amino-6-methyl-(8CI,9CI) | [EINECS(EC#)]
223-612-1 | [Molecular Formula]
C5H7N3O | [MDL Number]
MFCD00006095 | [Molecular Weight]
125.13 | [MOL File]
3977-29-5.mol |
| Chemical Properties | Back Directory | [Appearance]
white powder | [Melting point ]
>300 °C (lit.) | [Boiling point ]
232.57°C (rough estimate) | [density ]
1.2602 (rough estimate) | [refractive index ]
1.6190 (estimate) | [storage temp. ]
Keep in dark place,Inert atmosphere,Room temperature | [solubility ]
Aqueous Base (Sparingly), DMSO (Slightly) | [form ]
Powder | [pka]
10.03±0.50(Predicted) | [color ]
White to cream | [BRN ]
3531 | [InChI]
InChI=1S/C5H7N3O/c1-3-2-4(9)8-5(6)7-3/h2H,1H3,(H3,6,7,8,9) | [InChIKey]
KWXIPEYKZKIAKR-UHFFFAOYSA-N | [SMILES]
C1(N)=NC(C)=CC(=O)N1 | [CAS DataBase Reference]
3977-29-5(CAS DataBase Reference) | [NIST Chemistry Reference]
Pyrimidine, 2-amino-4-hydroxy-6-methyl-(keto form)(3977-29-5) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S24/25:Avoid contact with skin and eyes .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S22:Do not breathe dust . | [WGK Germany ]
3
| [RTECS ]
UW7362250
| [HazardClass ]
IRRITANT | [HS Code ]
29335990 |
| Hazard Information | Back Directory | [Chemical Properties]
white powder | [Definition]
ChEBI: An aminopyrimidine compound having its amino group at position 2 and hydroxy and methyl substituents at positions 4 and 6 respectively. | [Synthesis]
The general procedure for the synthesis of 2-amino-4-hydroxy-6-methylpyrimidines from ethyl acetoacetate and the compound (CAS: 113-00-8) was carried out as follows: referring to the literature method [26] with slight modifications. Guanidine (2.02 g, 33.84 mM) was dissolved in acetone/ethanol solvent mixture (1:2, v/v) and an acetone/ethanol solution of ethyl acetoacetate (4.40 g, 33.86 mM) was added slowly and dropwise. The reaction mixture was stirred at room temperature for 10 hours. After completion of the reaction, the solid product was isolated by filtration and recrystallized from acetic acid to obtain colorless crystals. Yield: 1.36 g (52%). The structure of the product was confirmed by 1H NMR (400 MHz, CDCl3, ppm): δ 11.09 (s, 1H, OH), 5.92 (s, 2H, NH2), 5.14 (s, 1H, Ar-H), 2.14 (s, 3H, Ar-CH3).13C NMR (100 MHz, CDCl3, ppm) data: δ 162.3, 161.1, 155.3, 102.5, 23.9. ESI-MS analysis: calculated value C5H7N3O [M+] is 125.06; measured value is 126.07 [M++1]. | [References]
[1] Polyhedron, 2017, vol. 129, p. 141 - 148 |
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