4(3H)-Pyrimidinone,6-amino-2-methyl- supplier

Name
4-AMINO-6-HYDROXY-2-METHYLPYRIMIDINE
EINECS 212-182-0
CAS No. 767-16-8
Article Data10
CAS DataBase
Density 1.44 g/cm³
Solubility
Melting Point >300 °C
Formula C₅H₇N₃O
Boiling Point 228.1 °C at 760 mmHg
Molecular Weight 125.13
Flash Point 91.7 °C
Transport Information
Appearance
Safety 22-24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms NSC 26362;4(1H)-Pyrimidinone,6-amino-2-methyl- (9CI);4-Pyrimidinol, 6-amino-2-methyl- (6CI,7CI,8CI);2-Methyl-4-amino-6-hydroxypyrimidine;2-Methyl-4-amino-6-oxypyrimidine;4-Amino-6-hydroxy-2-methylpyrimidine;6-Amino-2-methylpyrimidin-4-ol;NSC171558;
PSA 72.03000
LogP 0.65400

4(3H)-Pyrimidinone,6-amino-2-methyl- Specification

The 4(3H)-Pyrimidinone,6-amino-2-methyl-, with the CAS registry number 767-16-8, is also known as 6-Amino-2-methylpyrimidin-4(1H)-one. It belongs to the product category of Pyrimidine. Its EINECS registry number is 212-182-0. This chemical's molecular formula is C₅H₇N₃O and molecular weight is 125.13. What's more, its IUPAC name is called 6-Amino-2-methyl-1H-pyrimidin-4-one. When you are dealing with this chemical, you should be very careful. The gas of this chemical can not be breathed and you should avoid contacting with skin and eyes.

Physical properties about 4(3H)-Pyrimidinone,6-amino-2-methyl- are: (1)ACD/LogP: -1.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.44; (4)ACD/LogD (pH 7.4): -1.44; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.91; (8)ACD/KOC (pH 7.4): 3.92; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 35.91 Å²; (13)Index of Refraction: 1.651; (14)Molar Refractivity: 31.72 cm³; (15)Molar Volume: 86.8 cm³; (16)Surface Tension: 55.8 dyne/cm; (17)Density: 1.44 g/cm³; (18)Flash Point: 91.7 °C; (19)Enthalpy of Vaporization: 46.47 kJ/mol; (20)Boiling Point: 228.1 °C at 760 mmHg; (21)Vapour Pressure: 0.0749 mmHg at 25 °C.

Uses of 4(3H)-Pyrimidinone,6-amino-2-methyl-: it is used to produce other chemicals. For example, it is used to produce 2-Chloro-N-(2-methyl-6-oxo-1,6-dihydro-pyrimidin-4-yl)-acetamide. The reaction occurs with reagent CHCl₃ and other condition of heating for 26 hours. The yield is 82 %.

4(3H)-Pyrimidinone,6-amino-2-methyl- is used to produce 2-Chloro-N-(2-methyl-6-oxo-1,6-dihydro-pyrimidin-4-yl)-acetamide.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C/1/N=C(\NC(\N)=C\1)C
(2) InChI: InChI=1/C5H7N3O/c1-3-7-4(6)2-5(9)8-3/h2H,1H3,(H3,6,7,8,9)
(3) InChIKey: MVHONLHZERWNRF-UHFFFAOYAZ

Product Name

4-AMINO-6-HYDROXY-2-METHYLPYRIMIDINE

4(3H)-Pyrimidinone,6-amino-2-methyl- Specification

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