2-AMINO-5-BROMO-4-HYDROXY-6-METHYLPYRIMIDINE

The 4(3H)-Pyrimidinone,2-amino-5-bromo-6-methyl-, with the CAS registry number 6307-35-3, is also known as 5-Bromo-6-methylisocytosine. It belongs to the product categories of Pyridines, Pyrimidines, Purines and Pteredines; Pyrimidine. Its EINECS registry number is 228-623-5. This chemical's molecular formula is C₅H₆BrN₃O and molecular weight is 204.02. Its IUPAC name is called 2-amino-5-bromo-6-methyl-1H-pyrimidin-4-one. This chemical is white to off-white powder.

Physical properties of 4(3H)-Pyrimidinone,2-amino-5-bromo-6-methyl-: (1)ACD/LogP: -0.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.04; (4)ACD/LogD (pH 7.4): -0.1; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 22.51; (8)ACD/KOC (pH 7.4): 19.87; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.719; (13)Molar Refractivity: 39.28 cm³; (14)Molar Volume: 99.5 cm³; (15)Surface Tension: 63.5 dyne/cm; (16)Density: 2.04 g/cm³; (17)Flash Point: 123.7 °C; (18)Enthalpy of Vaporization: 51.97 kJ/mol; (19)Boiling Point: 280.9 °C at 760 mmHg; (20)Vapour Pressure: 0.00368 mmHg at 25°C.

Uses of 4(3H)-Pyrimidinone,2-amino-5-bromo-6-methyl-: it can be used to produce 2-(6-bromo-7-methyl-5-oxo-5,8-dihydro-imidazo[1,2-a]pyrimidin-2-yl)-2-methyl-proπonic acid methyl ester at temperature of 20 °C. This reaction will need reagent NaH and solvent dimethylformamide with reaction time of 30min. The yield is about 76%.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(C(=O)N=C(N1)N)Br
(2)InChI: InChI=1S/C5H6BrN3O/c1-2-3(6)4(10)9-5(7)8-2/h1H3,(H3,7,8,9,10)
(3)InChIKey: ADLWOFHKMXUDKF-UHFFFAOYSA-N