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| CAS No.: | 811450-26-7 |
|---|---|
| Name: | 5-fluoropyrimidin-4-amine |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C4H4FN3 |
| Molecular Weight: | 113.09 |
| Synonyms: | 4-Amino-5-fluoro-2(1H)-pyrimidine; |
| Density: | 1.372 g/cm3 |
| Boiling Point: | 222.7 °C at 760 mmHg |
| Flash Point: | 88.5 °C |
| Safety: | 24/25 |
| PSA: | 51.80000 |
| LogP: | 0.77910 |
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Specification
The 4-Pyrimidinamine,5-fluoro-, with the CAS registry number 811450-26-7, is also known as 4-Amino-5-fluoro-2(1H)-pyrimidine. This chemical's molecular formula is C4H4FN3 and molecular weight is 113.09. What's more, its systematic name is called 5-Fluoropyrimidin-4-amine.
Physical properties about 4-Pyrimidinamine,5-fluoro- are: (1) ACD/LogP: 0.34; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 0.28; (4) ACD/LogD (pH 7.4): 0.34; (5) ACD/BCF (pH 5.5): 1; (6) ACD/BCF (pH 7.4): 1.06; (7) ACD/KOC (pH 5.5): 31.57; (8) ACD/KOC (pH 7.4): 36.33; (9)#H bond acceptors: 3; (10) #H bond donors: 2; (11) #Freely Rotating Bonds: 0; (12) Polar Surface Area: 29.02 Å2; (13) Index of Refraction: 1.56; (14) Molar Refractivity: 26.66 cm3; (15) Molar Volume: 82.3 cm3; (16) Surface Tension: 59.2 dyne/cm; (17) Density: 1.372 g/cm3; (18) Flash Point: 88.5 °C; (19) Enthalpy of Vaporization: 45.92 kJ/mol; (20) Boiling Point: 222.7 °C at 760 mmHg; (21) Vapour Pressure: 0.1 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Fc1c(ncnc1)N
(2) InChI: InChI=1/C4H4FN3/c5-3-1-7-2-8-4(3)6/h1-2H,(H2,6,7,8)
(3) InChIKey: PKZMNMQCFNJXEH-UHFFFAOYAR