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CAS No.: | 88474-31-1 |
---|---|
Name: | 4-chloro-6-methoxy-2-methylpyrimidin-5-amine |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C6H8ClN3O |
Molecular Weight: | 173.602 |
Synonyms: | Pyrimidine,5-amino-4-chloro-6-methoxy-2-methyl- (6CI); |
Density: | 1.331g/cm3 |
Boiling Point: | 271.6 °C at 760 mmHg |
Flash Point: | 118.1 °C |
PSA: | 61.03000 |
LogP: | 1.61040 |
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The 4-Chloro-6-methoxy-2-methyl-5-pyrimidinamine, with CAS registry number 88474-31-1, has the systematic name of 4-chloro-6-methoxy-2-methylpyrimidin-5-amine. Besides this, it is also called 6-chloro-4-methoxy-2-methylpyrimidine-5-ylamine. And the chemical formula of this chemical is C6H8ClN3O.
Physical properties of 4-Chloro-6-methoxy-2-methyl-5-pyrimidinamine: (1)ACD/LogP: 0.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.87; (4)ACD/LogD (pH 7.4): 0.87; (5)ACD/BCF (pH 5.5): 2.68; (6)ACD/BCF (pH 7.4): 2.68; (7)ACD/KOC (pH 5.5): 70.45; (8)ACD/KOC (pH 7.4): 70.45; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 38.25 Å2; (13)Index of Refraction: 1.574; (14)Molar Refractivity: 43.07 cm3; (15)Molar Volume: 130.3 cm3; (16)Polarizability: 17.07×10-24cm3; (17)Surface Tension: 52.8 dyne/cm; (18)Density: 1.331 g/cm3; (19)Flash Point: 118.1 °C; (20)Enthalpy of Vaporization: 50.98 kJ/mol; (21)Boiling Point: 271.6 °C at 760 mmHg; (22)Vapour Pressure: 0.00639 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1nc(nc(OC)c1N)C
(2)InChI: InChI=1/C6H8ClN3O/c1-3-9-5(7)4(8)6(10-3)11-2/h8H2,1-2H3
(3)InChIKey: XOPAFBPYRUSQNI-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C6H8ClN3O/c1-3-9-5(7)4(8)6(10-3)11-2/h8H2,1-2H3
(5)Std. InChIKey: XOPAFBPYRUSQNI-UHFFFAOYSA-N