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5-Pyrimidinamine,4-methoxy-2-methyl- (53135-45-8)

Identification
Name:5-Pyrimidinamine,4-methoxy-2-methyl-
Synonyms:Pyrimidine,5-amino-4-methoxy-2-methyl- (6CI);5-Amino-4-methoxy-2-methylpyrimidine;
CAS:53135-45-8
Molecular Formula: C6H9 N3 O
Molecular Weight: 139.15516
InChI: InChI=1/C6H9N3O/c1-4-8-3-5(7)6(9-4)10-2/h3H,7H2,1-2H3
Molecular Structure: (C6H9N3O) Pyrimidine,5-amino-4-methoxy-2-methyl- (6CI);5-Amino-4-methoxy-2-methylpyrimidine;
Properties
Density:1.174g/cm3
Refractive index:1.557
Specification:

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.

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