ChemSpider 2D Image | 5-[3-({4-[3-(4-Isopropylphenyl)-2-pyrazinyl]-1-piperazinyl}sulfonyl)phenyl]-2-pyrimidinamine | C27H29N7O2S

5-[3-({4-[3-(4-Isopropylphenyl)-2-pyrazinyl]-1-piperazinyl}sulfonyl)phenyl]-2-pyrimidinamine

  • Molecular FormulaC27H29N7O2S
  • Average mass515.630 Da
  • Monoisotopic mass515.210327 Da
  • ChemSpider ID28668013

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-Pyrimidinamine, 5-[3-[[4-[3-[4-(1-methylethyl)phenyl]-2-pyrazinyl]-1-piperazinyl]sulfonyl]phenyl]- [ACD/Index Name]
5-[3-({4-[3-(4-Isopropylphenyl)-2-pyrazinyl]-1-piperazinyl}sulfonyl)phenyl]-2-pyrimidinamin [German] [ACD/IUPAC Name]
5-[3-({4-[3-(4-Isopropylphenyl)-2-pyrazinyl]-1-piperazinyl}sulfonyl)phenyl]-2-pyrimidinamine [ACD/IUPAC Name]
5-[3-({4-[3-(4-Isopropylphényl)-2-pyrazinyl]-1-pipérazinyl}sulfonyl)phényl]-2-pyrimidinamine [French] [ACD/IUPAC Name]
5-{3-[(4-{3-[4-(1-methylethyl)phenyl]pyrazin-2-yl}piperazin-1-yl)sulfonyl]phenyl}pyrimidin-2-amine
5-{3-[(4-{3-[4-(1-Methylethyl)phenyl]pyrazin-2-Yl}piperazin-1-Yl)sulfonyl]phenyl} Pyrimidin-2-Amine

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

534 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 774.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 112.8±3.0 kJ/mol
Flash Point: 422.4±35.7 °C
Index of Refraction: 1.640
Molar Refractivity: 142.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.18
ACD/LogD (pH 5.5): 3.94
ACD/BCF (pH 5.5): 573.50
ACD/KOC (pH 5.5): 3235.95
ACD/LogD (pH 7.4): 3.96
ACD/BCF (pH 7.4): 602.45
ACD/KOC (pH 7.4): 3399.31
Polar Surface Area: 127 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 62.1±3.0 dyne/cm
Molar Volume: 395.8±3.0 cm3

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