5-(4-Aminophenyl)-2,4-pyrimidinediamine (71552-29-9)

The 5-(4-Aminophenyl)-2,4-pyrimidinediamine, with the CAS registry number 71552-29-9, is also known as 2,4-Diamino-5-[p-aminophenyl]pyrimidine. This chemical's molecular formula is C₁₀H₁₁N₅ and molecular weight is 201.23. Its systematic name is called 5-(4-aminophenyl)pyrimidine-2,4-diamine.

Physical properties of 5-(4-Aminophenyl)-2,4-pyrimidinediamine: (1)ACD/LogP: -0.02; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -1.75; (4)ACD/LogD (pH 7.4): -0.27; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 12.89; (9)#H bond acceptors: 5; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.74; (13)Molar Refractivity: 59.73 cm³; (14)Molar Volume: 148 cm³; (15)Surface Tension: 82.7 dyne/cm; (16)Density: 1.359 g/cm³; (17)Flash Point: 293.2 °C; (18)Enthalpy of Vaporization: 77.75 kJ/mol; (19)Boiling Point: 507.4 °C at 760 mmHg; (20)Vapour Pressure: 2.04E-10 mmHg at 25°C; (21)Melting Point: 233 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: n2c(N)c(c1ccc(N)cc1)cnc2N
(2)InChI: InChI=1/C10H11N5/c11-7-3-1-6(2-4-7)8-5-14-10(13)15-9(8)12/h1-5H,11H2,(H4,12,13,14,15)
(3)InChIKey: ONXVPAMWADIODC-UHFFFAOYAN