4-Pyrimidinecarboxylicacid, 2-amino- (2164-65-0)

The 2-Aminopyrimidine-4-carboxylic acid is an organic compound with the formula C₅H₅N₃O₂. The IUPAC name of this chemical is 2-aminopyrimidine-4-carboxylic acid. With the CAS registry number 2164-65-0, it is also named as 4-Pyrimidinecarboxylic acid, 2-amino-. The product's categories are Pyrimidine; Aminoacid; Pharmacetical.

Physical properties about 2-Aminopyrimidine-4-carboxylic acid are: (1)ACD/LogP: -0.54 ; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 5; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 55.32 Å²; (10)Index of Refraction: 1.663; (11)Molar Refractivity: 33.6 cm³; (12)Molar Volume: 90.6 cm³; (13)Polarizability: 13.32×10^-24cm³; (14)Surface Tension: 95.5 dyne/cm; (15)Density: 1.533 g/cm³; (16)Flash Point: 240.8 °C; (17)Enthalpy of Vaporization: 77.74 kJ/mol; (18)Boiling Point: 474.6 °C at 760 mmHg; (19)Vapour Pressure: 8.19E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1nc(ncc1)N
(2)InChI: InChI=1/C5H5N3O2/c6-5-7-2-1-3(8-5)4(9)10/h1-2H,(H,9,10)(H2,6,7,8)
(3)InChIKey: GKFPFLBDQJVJIH-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C5H5N3O2/c6-5-7-2-1-3(8-5)4(9)10/h1-2H,(H,9,10)(H2,6,7,8)
(5)Std. InChIKey: GKFPFLBDQJVJIH-UHFFFAOYSA-N