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CAS No.: | 103151-40-2 |
---|---|
Name: | 4-amino-2-(4-methyl-1-piperazinyl)-5-pyrimidinecarbonitrile |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C10H14N6 |
Molecular Weight: | 218.261 |
Synonyms: | 4-amino-2-(4-methyl-piperazin-1-yl)-pyrimidine-5-carbonitrile;4-amino-2-(4-methyl-1-piperazinyl)-5-pyrimidinecarbonitrile;HMS1439P05;4-Amino-2-(N'-methyl-piperazino)-5-cyan-pyrimidin; |
Density: | 1.31 g/cm3 |
Melting Point: | 189℃ |
Boiling Point: | 457.4 °C at 760 mmHg |
Flash Point: | 230.5 °C |
PSA: | 82.80000 |
LogP: | -0.38472 |
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This chemical is called 4-Amino-2-(4-methyl-1-piperazinyl)-5-pyrimidinecarbonitrile. With the molecular formula of C10H14N6, its molecular weight is 218.26. The CAS registry number of this chemical is 103151-40-2.
Other characteristics of the 4-Amino-2-(4-methyl-1-piperazinyl)-5-pyrimidinecarbonitrile can be summarised as followings: (1)ACD/LogP: 0.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.7; (4)ACD/LogD (pH 7.4): 2.01; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 18.94; (7)ACD/KOC (pH 5.5): 13.1; (8)ACD/KOC (pH 7.4): 268.24; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 59.29 Å2; (13)Index of Refraction: 1.637; (14)Molar Refractivity: 59.4 cm3; (15)Molar Volume: 165.4 cm3; (16)Polarizability: 23.54×10-24cm3; (17)Surface Tension: 79.3 dyne/cm; (18)Density: 1.31 g/cm3; (19)Flash Point: 230.5 °C; (20)Enthalpy of Vaporization: 71.76 kJ/mol; (21)Boiling Point: 457.4 °C at 760 mmHg; (22)Vapour Pressure: 1.49E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: N#Cc1c(nc(nc1)N2CCN(C)CC2)N
2.InChI: InChI=1/C10H14N6/c1-15-2-4-16(5-3-15)10-13-7-8(6-11)9(12)14-10/h7H,2-5H2,1H3,(H2,12,13,14)
3.InChIKey: JVINSPXXPZUMTH-UHFFFAOYAF