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CAS No.: | 18260-69-0 |
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Name: | Pyrimidine, 4-amino-6-fluoro-5-methyl- (8CI) |
Molecular Structure: | |
Formula: | C5H6FN3 |
Molecular Weight: | 127.121 |
Synonyms: | Pyrimidine,4-amino-6-fluoro-5-methyl- (8CI); |
EINECS: | 604-604-1 |
Density: | 1.288 g/cm3 |
Melting Point: | 232-233℃ |
Boiling Point: | 253.1 °C at 760 mmHg |
Flash Point: | 106.8 °C |
PSA: | 51.80000 |
LogP: | 1.08750 |
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The 4-Pyrimidinamine,6-fluoro-5-methyl-, with the CAS registry number 18260-69-0, is also known as 4-Amino-6-fluoro-5-methylpyrimidine. It belongs to the product category of Pyrimidine. This chemical's molecular formula is C5H6FN3 and molecular weight is 127.1196432. Its IUPAC name is called 6-Fluoro-5-methylpyrimidin-4-amine.
Physical properties of 4-Pyrimidinamine,6-fluoro-5-methyl-: (1)ACD/LogP: 0.66; (2)ACD/LogD (pH 5.5): 0.66; (3)ACD/LogD (pH 7.4): 0.66; (4)ACD/BCF (pH 5.5): 1.87; (5)ACD/BCF (pH 7.4): 1.87; (6)ACD/KOC (pH 5.5): 54.43; (7)ACD/KOC (pH 7.4): 54.46; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)Index of Refraction: 1.551; (11)Molar Refractivity: 31.49 cm3; (12)Molar Volume: 98.6 cm3; (13)Surface Tension: 53 dyne/cm; (14)Density: 1.288 g/cm3; (15)Flash Point: 106.8 °C; (16)Enthalpy of Vaporization: 49.04 kJ/mol; (17)Boiling Point: 253.1 °C at 760 mmHg; (18)Vapour Pressure: 0.0187 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1c(ncnc1F)N
(2)InChI: InChI=1/C5H6FN3/c1-3-4(6)8-2-9-5(3)7/h2H,1H3,(H2,7,8,9)
(3)InChIKey: PEXNNBPRBIMCKP-UHFFFAOYAC