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313961-68-1

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Basic Information
CAS No.: 313961-68-1
Name: 6-FLUORO-2-(METHYLAMINO)-4(1H)-PYRIMIDINONE
Molecular Structure:
Molecular Structure of 313961-68-1 (6-FLUORO-2-(METHYLAMINO)-4(1H)-PYRIMIDINONE)
Formula: C5H6FN3O
Molecular Weight: 143.1190432
Synonyms: 6-Fluoro-2-(methylamino)pyrimidin-4(1H)-one;
Density: 1.46 g/cm3
Boiling Point: 184.6 °C at 760 mmHg
Flash Point: 65.5 °C
PSA: 57.78000
LogP: 0.02370
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Specification

The 4(1H)-Pyrimidinone,6-fluoro-2-(methylamino)-, with the CAS registry number 313961-68-1, is also known as 6-Fluoro-2-(methylamino)-4(1H)-pyrimidinone. It belongs to the product categories of Pyrimidine; Halide; Alcohol. This chemical's molecular formula is C5H6FN3O and molecular weight is 143.1190432. What's more, its systematic name is called 6-Fluoro-2-(methylamino)pyrimidin-4(1H)-one.

Physical properties about 4(1H)-Pyrimidinone,6-fluoro-2-(methylamino)- are: (1)ACD/LogP: -1.16; (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): 5.58; (6)ACD/KOC (pH 7.4): 4.55; (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: 1.584; (12)Molar Refractivity: 32.73 cm3; (13)Molar Volume: 97.7 cm3; (14)Surface Tension: 42.8 dyne/cm; (15)Density: 1.46 g/cm3; (16)Flash Point: 65.5 °C; (17)Enthalpy of Vaporization: 42.09 kJ/mol; (18)Boiling Point: 184.6 °C at 760 mmHg; (19)Vapour Pressure: 0.726 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: FC=1NC(=N/C(=O)C=1)\NC
(2) InChI: InChI=1/C5H6FN3O/c1-7-5-8-3(6)2-4(10)9-5/h2H,1H3,(H2,7,8,9,10)
(3) InChIKey: KLYLSYMCPGBNPS-UHFFFAOYAH