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25526-81-2

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Basic Information
CAS No.: 25526-81-2
Name: 4-Pyrimidinamine, 5-(bromomethyl)-2-methyl- (9CI)
Molecular Structure:
Molecular Structure of 25526-81-2 (4-Pyrimidinamine, 5-(bromomethyl)-2-methyl- (9CI))
Formula: C6H8BrN3
Molecular Weight: 202.05
Synonyms: Pyrimidine, 4-amino-5-(bromomethyl)-2-methyl- (6CI,7CI,8CI);4-Amino-2-methyl-5-(bromomethyl)pyrimidine;4-Amino-5-bromomethyl-2-methylpyrimidine;
Density: 1.63 g/cm3
Melting Point: 208 °C (decomp)
Boiling Point: 307.976 °C at 760 mmHg
Flash Point: 140.059 °C
PSA: 51.80000
LogP: 1.84330
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Specification

The 2-Methyl-5-(bromomethyl)-4-pyrimidinamine, with the CAS registry number 25526-81-2, is also known as 4-Amino-2-methyl-5-(bromomethyl)pyrimidine. It belongs to the product category of Pyrimidine. This chemical's molecular formula is C6H8BrN3 and molecular weight is 202.05. What's more, its systematic name is 5-(Bromomethyl)-2-methyl-4-pyrimidinamine.

Physical properties of 2-Methyl-5-(bromomethyl)-4-pyrimidinamine are: (1)ACD/LogP: 0.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.08; (4)ACD/LogD (pH 7.4): 0.28; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 21.09; (8)ACD/KOC (pH 7.4): 33.56; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 51.8 Å2; (13)Index of Refraction: 1.631; (14)Molar Refractivity: 44.145 cm3; (15)Molar Volume: 123.928 cm3; (16)Polarizability: 17.5×10-24cm3; (17)Surface Tension: 62.2 dyne/cm; (18)Density: 1.63 g/cm3; (19)Flash Point: 140.059 °C; (20)Enthalpy of Vaporization: 54.862 kJ/mol; (21)Boiling Point: 307.976 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: BrCc1cnc(nc1N)C
(2)Std. InChI: InChI=1S/C6H8BrN3/c1-4-9-3-5(2-7)6(8)10-4/h3H,2H2,1H3,(H2,8,9,10)
(3)Std. InChIKey: QWNONVPLJDGJQR-UHFFFAOYSA-N