4-Methoxy-6-trifluoromethyl-2-pyrimidinamine supplier

Name
4-Methoxy-6-trifluoromethyl-2-pyrimidinamine
EINECS
CAS No. 16097-61-3
Article Data3
CAS DataBase
Density 1.423 g/cm³
Solubility
Melting Point
Formula C₆H₆F₃N₃O
Boiling Point 302.8 °C at 760 mmHg
Molecular Weight 193.128
Flash Point 136.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Pyrimidine, 2-amino-4-methoxy-6-(trifluoromethyl)-(8CI);2-Amino-4-methoxy-6-(trifluoromethyl)pyrimidine;
PSA 61.76000
LogP 1.01630

4-Methoxy-6-trifluoromethyl-2-pyrimidinamine Specification

The 4-Methoxy-6-trifluoromethyl-2-pyrimidinamine is an organic compound with the formula C₆H₆F₃N₃O. The IUPAC name of this chemical is 4-methoxy-6-(trifluoromethyl)pyrimidin-2-amine. With the CAS registry number 16097-61-3, it is also named as 2-pyrimidinamine, 4-methoxy-6-(trifluoromethyl)-.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 0.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.76; (4)ACD/LogD (pH 7.4): 0.76; (5)ACD/BCF (pH 5.5): 2.21; (6)ACD/BCF (pH 7.4): 2.21; (7)ACD/KOC (pH 5.5): 61.47; (8)ACD/KOC (pH 7.4): 61.47; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.476; (13)Molar Refractivity: 38.32 cm³; (14)Molar Volume: 135.6 cm³; (15)Polarizability: 15.19×10^-24 cm³; (16)Surface Tension: 37.2 dyne/cm; (17)Enthalpy of Vaporization: 54.31 kJ/mol; (18)Vapour Pressure: 0.000967 mmHg at 25°C; (19)Rotatable Bond Count: 1; (20)Tautomer Count: 3; (21)Exact Mass: 193.046296; (22)MonoIsotopic Mass: 193.046296; (23)Topological Polar Surface Area: 61; (24)Heavy Atom Count: 13; (25)Complexity: 175.

Preparation of 4-Methoxy-6-trifluoromethyl-2-pyrimidinamine: It can be obtained by 4-chloro-6-trifluoromethyl-pyrimidin-2-ylamine and methanol; sodium salt. This substitution reaction reacts at temperature of 20-35 °C. The yield is 92%.

People can use the following data to convert to the molecule structure.
1. SMILES:FC(F)(F)c1nc(nc(OC)c1)N
2. InChI:InChI=1/C6H6F3N3O/c1-13-4-2-3(6(7,8)9)11-5(10)12-4/h2H,1H3,(H2,10,11,12)
3. InChIKey:UZXBRMTVBHRLIR-UHFFFAOYAW

Product Name

4-Methoxy-6-trifluoromethyl-2-pyrimidinamine

4-Methoxy-6-trifluoromethyl-2-pyrimidinamine Specification

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