1H-Pyrrolo[2,3-d]pyrimidine (271-70-5)

The cas register number of 1H-Pyrrolo[2,3-d]pyrimidine is 271-70-5. It also can be called as 3H-Pyrrolo[2,3-d]pyrimidine and the IUPAC Name about this chemical is 7H-pyrrolo[2,3-d]pyrimidine. It belongs to the Pyrimidine.

Physical properties about 1H-Pyrrolo[2,3-d]pyrimidine are: (1)ACD/LogP: -0.42; (2)ACD/LogD (pH 5.5): -0.43; (3)ACD/LogD (pH 7.4): -0.42; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 13.82; (7)ACD/KOC (pH 7.4): 14.09; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)Polar Surface Area: 30.71Ų; (11)Index of Refraction: 1.715; (12)Molar Refractivity: 34.71 cm³; (13)Molar Volume: 88.3 cm³; (14)Polarizability: 13.76x10^-24cm³; (15)Surface Tension: 73.9 dyne/cm; (16)Enthalpy of Vaporization: 50.64 kJ/mol; (17)Boiling Point: 288.3 °C at 760 mmHg; (18)Vapour Pressure: 0.00409 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n1cc2c(nc1)ncc2
(2)InChI: InChI=1/C6H5N3/c1-2-8-6-5(1)3-7-4-9-6/h1-4H,(H,7,8,9)
(3)InChIKey: JJTNLWSCFYERCK-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C6H5N3/c1-2-8-6-5(1)3-7-4-9-6/h1-4H,(H,7,8,9)
(5)Std. InChIKey: JJTNLWSCFYERCK-UHFFFAOYSA-N