N-Benzyl-6-chloro-4-pyrimidinamine

The 4-Pyrimidinamine, 6-chloro-N-(phenylmethyl)-, with the CAS registry number 61667-16-1, is also known as N-Benzyl-6-chloro-4-pyrimidinamine. This chemical's molecular formula is C₁₁H₁₀ClN₃ and molecular weight is 219.6702. What's more, its IUPAC name is N-Benzyl-6-chloropyrimidin-4-amine. In addition, this chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about 4-Pyrimidinamine, 6-chloro-N-(phenylmethyl)- are: (1)ACD/LogP: 1.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.41; (4)ACD/LogD (pH 7.4): 3.41; (5)ACD/BCF (pH 5.5): 231.02; (6)ACD/BCF (pH 7.4): 231.16; (7)ACD/KOC (pH 5.5): 1711.74; (8)ACD/KOC (pH 7.4): 1712.77; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.02 Å²; (13)Index of Refraction: 1.652; (14)Molar Refractivity: 61.42 cm³; (15)Molar Volume: 167.9 cm³; (16)Polarizability: 24.35×10^-24 cm³; (17)Surface Tension: 57.4 dyne/cm; (18)Density: 1.307 g/cm³; (19)Flash Point: 184.2 °C; (20)Enthalpy of Vaporization: 62.92 kJ/mol; (21)Boiling Point: 381 °C at 760 mmHg; (22)Vapour Pressure: 5.25E-06 mmHg at 25 °C.

Uses of 4-Pyrimidinamine, 6-chloro-N-(phenylmethyl)-: it is used to produce other chemicals. For example, it is used to produce N-Benzyl-N'-cyclohexyl-pyrimidine-4, 6-diamine. This reaction needs reagents Cyclohexylamine and Diisopropylethyl amine. Meanwhile, it needs solvent Propan-2-ol. The reaction time is 60 minutes with reaction temperature of 160 °C. The yield is about 58 %. Other condition of this reaction is Irradiation.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc2ncnc(NCc1ccccc1)c2
(2) InChI: InChI=1/C11H10ClN3/c12-10-6-11(15-8-14-10)13-7-9-4-2-1-3-5-9/h1-6,8H,7H2,(H,13,14,15)
(3) InChIKey: XARFPUIPIOPYGA-UHFFFAOYAX