The 2,4,6-Pyrimidinetriamine,5-ethyl-, with the CAS registry number 24867-19-4, has the EINECS number 246-506-7. This chemical's molecular formula is C6H11N5 and molecular weight is 153.185. Its systematic name is called 5-ethylpyrimidine-2,4,6-triamine.
Physical properties of 2,4,6-Pyrimidinetriamine,5-ethyl-: (1)ACD/LogP: -0.02; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -1.49; (4)ACD/LogD (pH 7.4): -0.17; (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): 16.61; (9)#H bond acceptors: 5; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.7; (13)Molar Refractivity: 44.69 cm3; (14)Molar Volume: 115.5 cm3; (15)Surface Tension: 83.8 dyne/cm; (16)Density: 1.325 g/cm3; (17)Flash Point: 269.7 °C; (18)Enthalpy of Vaporization: 73.32 kJ/mol; (19)Boiling Point: 470.6 °C at 760 mmHg; (20)Vapour Pressure: 5E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: n1c(N)c(c(nc1N)N)CC
(2)InChI: InChI=1/C6H11N5/c1-2-3-4(7)10-6(9)11-5(3)8/h2H2,1H3,(H6,7,8,9,10,11)
(3)InChIKey: JMJXZCVZSCWVDV-UHFFFAOYAE
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