ChemSpider 2D Image | (2R)-2-{[7-(Benzylamino)-3-isopropyl-1H-pyrazolo[4,3-d]pyrimidin-5-yl]amino}-1-butanol | C19H26N6O

(2R)-2-{[7-(Benzylamino)-3-isopropyl-1H-pyrazolo[4,3-d]pyrimidin-5-yl]amino}-1-butanol

  • Molecular FormulaC19H26N6O
  • Average mass354.449 Da
  • Monoisotopic mass354.216797 Da
  • ChemSpider ID26325576

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2r)-2-{[7-(Benzylamino)-3-(Propan-2-Yl)-1h-Pyrazolo[4,3-D]pyrimidin-5-Yl]amino}butan-1-Ol
(2R)-2-{[7-(Benzylamino)-3-isopropyl-1H-pyrazolo[4,3-d]pyrimidin-5-yl]amino}-1-butanol [German] [ACD/IUPAC Name]
(2R)-2-{[7-(Benzylamino)-3-isopropyl-1H-pyrazolo[4,3-d]pyrimidin-5-yl]amino}-1-butanol [ACD/IUPAC Name]
(2R)-2-{[7-(Benzylamino)-3-isopropyl-1H-pyrazolo[4,3-d]pyrimidin-5-yl]amino}-1-butanol [French] [ACD/IUPAC Name]
1-Butanol, 2-[[3-(1-methylethyl)-7-[(phenylmethyl)amino]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]amino]-, (2R)- [ACD/Index Name]

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

404 [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: 594.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.2±3.0 kJ/mol
Flash Point: 313.3±32.9 °C
Index of Refraction: 1.687
Molar Refractivity: 106.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.52
ACD/LogD (pH 5.5): 2.95
ACD/BCF (pH 5.5): 59.26
ACD/KOC (pH 5.5): 335.54
ACD/LogD (pH 7.4): 3.90
ACD/BCF (pH 7.4): 530.58
ACD/KOC (pH 7.4): 3004.03
Polar Surface Area: 99 Å2
Polarizability: 42.1±0.5 10-24cm3
Surface Tension: 65.1±3.0 dyne/cm
Molar Volume: 278.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement