| Identification | |
| Name: | 5-Pyrimidinecarboxylicacid, 4-amino-2-(methylthio)-, ethyl ester |
| Synonyms: | 4-Amino-2-methanethiopyrimidine-5-carboxylicacid ethyl ester;Ethyl4-amino-2-methylsulfanyl-5-pyrimidinecarboxylate;NSC 9310; |
| CAS: | 776-53-4 |
| Molecular Formula: | C8H11N3O2S |
| Molecular Weight: | 213.26 |
| InChI: | InChI=1/C8H11N3O2S/c1-3-13-7(12)5-4-10-8(14-2)11-6(5)9/h4H,3H2,1-2H3,(H2,9,10,11) |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.31 g/cm3 |
| Refractive index: | 1.585 |
| Specification: |
The Ethyl 4-amino-2-(methylthio)pyrimidine-5-carboxylate with the CAS number 776-53-4 is also called 5-Pyrimidinecarboxylicacid, 4-amino-2-(methylthio)-, ethyl ester. Its molecular formula is C8H11N3O2S. The product category is Pyrimidine series. This chemical is a kind of organics. It should be stored in dry and cool environment. The properties of the chemical are: (1)ACD/LogP: 1.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.36; (4)ACD/LogD (pH 7.4): 1.36; (5)ACD/BCF (pH 5.5): 6.32; (6)ACD/BCF (pH 7.4): 6.38; (7)ACD/KOC (pH 5.5): 129.88; (8)ACD/KOC (pH 7.4): 131.14; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 80.62 Å2; (13)Index of Refraction: 1.585; (14)Molar Refractivity: 54.34 cm3; (15)Molar Volume: 161.9 cm3; (16)Polarizability: 21.54×10-24cm3; (17)Surface Tension: 64.5 dyne/cm; (18)Enthalpy of Vaporization: 61.72 kJ/mol; (19)Vapour Pressure: 1.11×10-5 mmHg at 25°C. You can still convert the following datas into molecular structure: |
| Usage: | Used for preparation of pyrimidopyrimidines as protein kinase inhibitors. |
| Safety Data | |
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