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Name |
4-Pyrimidinamine, 5-fluoro-2-methoxy- |
EINECS | 233-515-6 |
CAS No. | 1993-63-1 | Density | 1.345 g/cm3 |
PSA | 61.03000 | LogP | 0.78770 |
Solubility | N/A | Melting Point |
193 °C |
Formula | C5H6FN3O | Boiling Point | 278.863 °C at 760 mmHg |
Molecular Weight | 143.121 | Flash Point | 122.452 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Pyrimidine, 4-amino-5-fluoro-2-methoxy-; |
Article Data | 5 |
The 4-Pyrimidinamine, 5-fluoro-2-methoxy-, with the CAS registry number 1993-63-1, is also known as Pyrimidine, 4-amino-5-fluoro-2-methoxy-. It belongs to the product categories of Pyrimidine; (Intermediate of Flucytosine). This chemical's molecular formula is C5H6FN3O and molecular weight is 143.119. What's more, its systematic name is 5-Fluoro-2-methoxy-pyrimidin-4-amine.
Physical properties about 4-Pyrimidinamine, 5-fluoro-2-methoxy- are: (1)ACD/LogP: 0.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.175; (4)ACD/LogD (pH 7.4): 0.18; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 29.47; (8)ACD/KOC (pH 7.4): 29.859; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 61.03 Å2; (13)Index of Refraction: 1.539; (14)Molar Refractivity: 33.344 cm3; (15)Molar Volume: 106.373 cm3; (16)Polarizability: 13.219×10-24 cm3; (17)Surface Tension: 51.672 dyne/cm; (18)Density: 1.345 g/cm3; (19)Flash Point: 122.452 °C; (20)Enthalpy of Vaporization: 51.751 kJ/mol; (21)Boiling Point: 278.863 °C at 760 mmHg; (22)Vapour Pressure: 0.004 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: COc1ncc(c(n1)N)F
(2) InChI: InChI=1/C5H6FN3O/c1-10-5-8-2-3(6)4(7)9-5/h2H,1H3,(H2,7,8,9)
(3) InChIKey: BYALTIIVASWNSY-UHFFFAOYAQ