4-AMINO-6-PHENYLPYRIMIDINE

The CAS register number of 4-Amino-6-phenylpyrimidine is 3435-29-8. It also can be called as 4-Pyrimidinamine,6-phenyl- and the systematic name about this chemical is 6-phenylpyrimidin-4-amine. The molecular formula about this chemical is C₁₀H₉N₃ and molecular weight is 171.20. It belongs to the API intermediates.

Physical properties about 4-Amino-6-phenylpyrimidine are: (1)ACD/LogP: 1.73; (2)ACD/LogD (pH 5.5): 1.6; (3)ACD/LogD (pH 7.4): 1.72; (4)ACD/BCF (pH 5.5): 8.97; (5)ACD/BCF (pH 7.4): 12.01; (6)ACD/KOC (pH 5.5): 153.93; (7)ACD/KOC (pH 7.4): 205.95; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 29.02Ų; (12)Index of Refraction: 1.633; (13)Molar Refractivity: 51.26 cm³; (14)Molar Volume: 143.4 cm³; (15)Polarizability: 20.32x10^-24cm³; (16)Surface Tension: 57.3 dyne/cm; (17)Flash Point: 216.9 °C; (18)Enthalpy of Vaporization: 63.73 kJ/mol; (19)Boiling Point: 388.2 °C at 760 mmHg; (20)Vapour Pressure: 3.12E-06 mmHg at 25°C.

Preparation: this chemical can be prepared by 4-phenyl-pyrimidine. This reaction also produce 4-phenyl-pyrimidin-2-ylamine. It will need reagent 0.8 M KNH₂ and solvent liquid ammonia. The yield is about 75%.

Uses of 4-Amino-6-phenylpyrimidine: it can be used to produce 6-Amino-4-phenylpyrimidine 1-Oxide at temperature of 55 - 60 ℃. This reaction will need reagent H₂O₂, 30percent and catalyst sodium tungstate. The yield is about 30%.

You can still convert the following datas into molecular structure:
(1)SMILES: n2c(c1ccccc1)cc(nc2)N
(2)InChI: InChI=1/C10H9N3/c11-10-6-9(12-7-13-10)8-4-2-1-3-5-8/h1-7H,(H2,11,12,13)
(3)InChIKey: NYXYYBHDSNBGOS-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C10H9N3/c11-10-6-9(12-7-13-10)8-4-2-1-3-5-8/h1-7H,(H2,11,12,13)
(5)Std. InChIKey: NYXYYBHDSNBGOS-UHFFFAOYSA-N