4(3H)-Pyrimidinone,6-amino-2-(dimethylamino)-5-nitroso- (70700-44-6)

The 4-Amino-2-dimethylamino-6-hydroxy-5-nitrosopyrimidine with the CAS number 70700-44-6 is also called 4(3H)-Pyrimidinone,6-amino-2-(dimethylamino)-5-nitroso-. The IUPAC name is 6-amino-2-(dimethylamino)-5-nitroso-1H-pyrimidin-4-one. Its molecular formula is C₆H₉N₅O₂.

The properties of the chemical are: (1)ACD/LogP: -1.21; (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): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 7; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 68.58 Å²; (11)Index of Refraction: 1.689; (12)Molar Refractivity: 44.01 cm³; (13)Molar Volume: 115.1 cm³; (14)Polarizability: 17.44×10^-24cm³; (15)Surface Tension: 65.8 dyne/cm; (16)Enthalpy of Vaporization: 48.52 kJ/mol; (17)Vapour Pressure: 0.0248 mmHg at 25°C.

Uses: This chemical can react with dimethyl-(4-methyl-phenacyl)-sulfonium; bromide. This reaction needs reagent pyridine at heating condition. The reaction time is 2.0 hours. The yield is 46%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=N\C1=C(\N\C(=N/C1=O)N(C)C)N
(2)InChI: InChI=1/C6H9N5O2/c1-11(2)6-8-4(7)3(10-13)5(12)9-6/h1-2H3,(H3,7,8,9,12)
(3)InChIKey: WQJLLOCUCJRMMW-UHFFFAOYAG