4-Amino-6-chloro-2-diethylaminopyrimidine (3289-38-1)

The 4-Amino-6-chloro-2-diethylaminopyrimidine, with the CAS registry number 3289-38-1, has the systematic name of 6-chloro-N²,N²-diethyl-pyrimidine-2,4-diamine. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₈H₁₃ClN₄.

The characteristics of 4-Amino-6-chloro-2-diethylaminopyrimidine are as followings: (1)ACD/LogP: 1.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.72; (4)ACD/LogD (pH 7.4): 1.73; (5)#H bond acceptors: 4; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 55.04 Å²; (9)Index of Refraction: 1.6; (10)Molar Refractivity: 55.14 cm³; (11)Molar Volume: 161.1 cm³; (12)Polarizability: 21.86×10^-24cm³; (13)Surface Tension: 55 dyne/cm; (14)Density: 1.245 g/cm³; (15)Flash Point: 168.6 °C; (16)Enthalpy of Vaporization: 60.03 kJ/mol; (17)Boiling Point: 355.1 °C at 760 mmHg; (18)Vapour Pressure: 3.19E-05 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CCN(CC)c1nc(cc(n1)Cl)N
(2)InChI: InChI=1/C8H13ClN4/c1-3-13(4-2)8-11-6(9)5-7(10)12-8/h5H,3-4H2,1-2H3,(H2,10,11,12)
(3)InChIKey: XZIIFPSPUDAGJM-UHFFFAOYAW