6-(4-Methyl-1-piperazinyl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[(1Z)-2-phenylethenyl]-4-pyrimidinamine supplier

Name
6-(4-Methyl-1-piperazinyl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[(1Z)-2-phenylethenyl]-4-pyrimidinamine
EINECS
CAS No. 934353-77-2
Density 1.267g/cm³
Solubility
Melting Point
Formula C₂₁H₂₅N₇
Boiling Point 535 °C at 760 mmHg
Molecular Weight 375.47
Flash Point 277.4 °C
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Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[(Z)-2-phenylethenyl]pyrimidin-4-amine;6-(4-Methyl-1-piperazinyl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[(1Z)-2-phenylethenyl]-4-pyrimidinamine;4-PyriMidinaMine, 6-(4-Methyl-1-piperazinyl)-N-(5-Methyl-1H-pyrazol-3-yl)-2-[(1Z)-2-phenylethenyl]-
PSA 76.20000
LogP 2.59870

6-(4-Methyl-1-piperazinyl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[(1Z)-2-phenylethenyl]-4-pyrimidinamine Specification

The 6-(4-Methyl-1-piperazinyl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[(1Z)-2-phenylethenyl]-4-pyrimidinamine with cas registry number of 934353-77-2, whose systematic name is 6-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[(Z)-2-phenylethenyl]pyrimidin-4-amine.

Physical properties about this chemical are: (1)ACD/LogP: 1.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0.2 ; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 9.49; (8)#H bond acceptors: 7; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 53.32 Å²; (12)Index of Refraction: 1.704; (13)Molar Refractivity: 115.03 cm³; (14)Molar Volume: 296.2 cm³; (15)Polarizability: 45.6×10^-24cm³; (16)Surface Tension: 68.8 dyne/cm; (17)Enthalpy of Vaporization: 81.14 kJ/mol; (18)Vapour Pressure: 1.6E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:n2c(N1CCN(C)CC1)cc(nc2/C=C\c3ccccc3)Nc4nnc(c4)C;
(2)InChI:InChI=1/C21H25N7/c1-16-14-20(26-25-16)23-19-15-21(28-12-10-27(2)11-13-28)24-18(22-19)9-8-17-6-4-3-5-7-17/h3-9,14-15H,10-13H2,1-2H3,(H2,22,23,24,25,26)/b9-8-;
(3)InChIKey:BLQYVHBZHAISJM-HJWRWDBZBU;
(4)Std. InChI:InChI=1S/C21H25N7/c1-16-14-20(26-25-16)23-19-15-21(28-12-10-27(2)11-13-28)24-18(22-19)9-8-17-6-4-3-5-7-17/h3-9,14-15H,10-13H2,1-2H3,(H2,22,23,24,25,26)/b9-8-;
(5)Std. InChIKey:BLQYVHBZHAISJM-HJWRWDBZSA-N.

Product Name

6-(4-Methyl-1-piperazinyl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[(1Z)-2-phenylethenyl]-4-pyrimidinamine

6-(4-Methyl-1-piperazinyl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[(1Z)-2-phenylethenyl]-4-pyrimidinamine Specification

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