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CAS No.: | 2908-71-6 |
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Name: | 4-Pyrimidinamine, 5-(bromomethyl)-2-methyl-, monohydrobromide |
Molecular Structure: | |
Formula: | C6H8BrN3·HBr |
Molecular Weight: | 282.966 |
Synonyms: | 4-Pyrimidinamine, 5-(bromomethyl)-2-methyl-, monohydrobromide (9CI);Pyrimidine, 4-amino-5-(bromomethyl)-2-methyl-, monohydrobromide (8CI);5-(Bromomethyl)-2-methylpyrimidin-4-amine hydrobromide (1:1); |
Melting Point: | 192-193 °C |
Boiling Point: | 339.9 °C at 760 mmHg |
Flash Point: | 159.4 °C |
PSA: | 51.80000 |
LogP: | 2.80140 |
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The 5-(Bromomethyl)-2-methyl-4-pyrimidinamine, monohydrobromide, with the CAS registry number 2908-71-6, is also known as 4-Pyrimidinamine, 5-(bromomethyl)-2-methyl-, monohydrobromide (9CI). It belongs to the product categories of Amines; Heterocycles; Protein Kinase Inhibitors and Activators. This chemical's molecular formula is C6H8BrN3·HBr and molecular weight is 282.96. What's more, its systematic name is 5-(Bromomethyl)-2-methyl-4-pyrimidinamine hydrobromide (1:1).
Physical properties of 5-(Bromomethyl)-2-methyl-4-pyrimidinamine, monohydrobromide are: (1)ACD/LogP: 0.631; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 51.8 Å2; (7)Flash Point: 159.4 °C; (8)Enthalpy of Vaporization: 60.19 kJ/mol; (9)Boiling Point: 339.9 °C at 760 mmHg; (10)Vapour Pressure: 5.18E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Br.Nc1nc(C)ncc1CBr
(2)Std. InChI: InChI=1S/C6H8BrN3.BrH/c1-4-9-3-5(2-7)6(8)10-4;/h3H,2H2,1H3,(H2,8,9,10);1H
(3)Std. InChIKey: NZXPJPYPDFCVTK-UHFFFAOYSA-N