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Search term: MFMSRHREFZCFSN (Found by InChIKey (skeleton match))

ChemSpider 2D Image | [4-({4-[(5-Cyclopropyl-1H-pyrazol-3-yl)amino]-6-(methylamino)-2-pyrimidinyl}amino)phenyl]acetonitrile | C19H20N8

[4-({4-[(5-Cyclopropyl-1H-pyrazol-3-yl)amino]-6-(methylamino)-2-pyrimidinyl}amino)phenyl]acetonitrile

  • Molecular FormulaC19H20N8
  • Average mass360.416 Da
  • Monoisotopic mass360.181091 Da
  • ChemSpider ID22376329

More details:






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

[4-({4-[(5-Cyclopropyl-1H-pyrazol-3-yl)amino]-6-(methylamino)-2-pyrimidinyl}amino)phenyl]acetonitril [German] [ACD/IUPAC Name]
[4-({4-[(5-Cyclopropyl-1H-pyrazol-3-yl)amino]-6-(methylamino)-2-pyrimidinyl}amino)phenyl]acetonitrile [ACD/IUPAC Name]
[4-({4-[(5-Cyclopropyl-1H-pyrazol-3-yl)amino]-6-(méthylamino)-2-pyrimidinyl}amino)phényl]acétonitrile [French] [ACD/IUPAC Name]
[4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(methylamino)pyrimidin-2-yl}amino)phenyl]acetonitrile
Benzeneacetonitrile, 4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(methylamino)-2-pyrimidinyl]amino]- [ACD/Index Name]
2-[4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-(methylamino)pyrimidin-2-yl}amino)phenyl]acetonitrile
5CP

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 707.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.4±3.0 kJ/mol
Flash Point: 381.4±35.7 °C
Index of Refraction: 1.766
Molar Refractivity: 104.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.65
ACD/LogD (pH 5.5): 2.66
ACD/BCF (pH 5.5): 54.84
ACD/KOC (pH 5.5): 532.76
ACD/LogD (pH 7.4): 2.87
ACD/BCF (pH 7.4): 88.39
ACD/KOC (pH 7.4): 858.81
Polar Surface Area: 114 Å2
Polarizability: 41.5±0.5 10-24cm3
Surface Tension: 83.8±3.0 dyne/cm
Molar Volume: 253.2±3.0 cm3

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