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Name |
2(1H)-Pyrimidinone,4-amino-5-fluoro-1-methyl- |
EINECS | N/A |
CAS No. | 155-15-7 | Density | 1.49 g/cm3 |
PSA | 58.69000 | LogP | -0.17910 |
Solubility | N/A | Melting Point |
N/A |
Formula | C5H6FN3O | Boiling Point | 209 °C at 760 mmHg |
Molecular Weight | 143.121 | Flash Point | 80.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
NSC 80844;Cytosine,5-fluoro-1-methyl- (7CI,8CI); |
Article Data | 7 |
This chemical is called 2(1H)-Pyrimidinone,4-amino-5-fluoro-1-methyl-, and its IUPAC name is 4-amino-5-fluoro-1-methylpyrimidin-2-one. With the molecular formula of C5H6FN3O, its molecular weight is 143.119. The CAS registry number of this chemical is 155-15-7.
Other characteristics of the 2(1H)-Pyrimidinone,4-amino-5-fluoro-1-methyl- can be summarised as followings: (1)ACD/LogP: -1.59; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 3.22; (6)ACD/KOC (pH 7.4): 3.24; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 0; (10)Polar Surface Area: 35.91 Å2; (11)Index of Refraction: 1.592; (12)Molar Refractivity: 32.49 cm3; (13)Molar Volume: 95.9 cm3; (14)Polarizability: 12.88×10-24cm3; (15)Surface Tension: 47.5 dyne/cm; (16)Density: 1.49 g/cm3; (17)Flash Point: 80.2 °C; (18)Enthalpy of Vaporization: 44.53 kJ/mol; (19)Boiling Point: 209 °C at 760 mmHg; (20)Vapour Pressure: 0.207 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: FC=1\C(=N/C(=O)N(C=1)C)N
2.InChI: InChI=1/C5H6FN3O/c1-9-2-3(6)4(7)8-5(9)10/h2H,1H3,(H2,7,8,10)
3.InChIKey: UEOOHYFUDJATBV-UHFFFAOYAA