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CAS No.: | 53135-45-8 |
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Name: | 4-METHOXY-2-METHYL-5-PYRIMIDINAMINE |
Molecular Structure: | |
Formula: | C6H9 N3 O |
Molecular Weight: | 139.157 |
Synonyms: | Pyrimidine,5-amino-4-methoxy-2-methyl- (6CI);5-Amino-4-methoxy-2-methylpyrimidine; |
EINECS: | 604-604-1 |
Density: | 1.174g/cm3 |
Melting Point: | 55-57 °C |
Boiling Point: | 253.3 °C at 760 mmHg |
Flash Point: | 107 °C |
PSA: | 61.03000 |
LogP: | 0.95700 |
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The 4-Methoxy-2-methyl-5-pyrimidinamine with cas registry number of 53135-45-8, is also called Pyrimidine,5-amino-4-methoxy-2-methyl- (6CI) .The 4-Methoxy-2-methyl-5-pyrimidinamine belongs to the following product categorie: pyrimidine.
Physical properties of 4-Methoxy-2-methyl-5-pyrimidinamine :(1)ACD/LogP: 0.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.65; (4)ACD/LogD (pH 7.4): 0.71; (5)ACD/BCF (pH 5.5): 1.78; (6)ACD/BCF (pH 7.4): 2.04; (7)ACD/KOC (pH 5.5): 50.62; (8)ACD/KOC (pH 7.4): 57.9; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 61.03 Å2; (13)Index of Refraction: 1.557; (14)Molar Refractivity: 38.17 cm3; (15)Molar Volume: 118.4 cm3; (16)Polarizability: 15.13 10-24cm3; (17)Surface Tension: 50.4 dyne/cm; (18)Enthalpy of Vaporization: 49.07 kJ/mol; (19)Vapour Pressure: 0.0184 mmHg at 25°C.
You can still convert the following datas into molecular structure: (1)SMILES:COc1nc(C)ncc1N; (2)InChI:InChI=1/C6H9N3O/c1-4-8-3-5(7)6(9-4)10-2/h3H,7H2,1-2H3; (3)InChIKey:XEGDLNODDATISE-UHFFFAOYAC; (4)Std. InChI:InChI=1S/C6H9N3O/c1-4-8-3-5(7)6(9-4)10-2/h3H,7H2,1-2H3; (5)Std. InChIKey:XEGDLNODDATISE-UHFFFAOYSA-N.