ChemSpider 2D Image | [1-({(5R)-2-[4-(5-Chloro-2-pyrimidinyl)-1-piperidinyl]-5-oxido-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl}amino)cyclobutyl]methanol | C20H25ClN6O2S

[1-({(5R)-2-[4-(5-Chloro-2-pyrimidinyl)-1-piperidinyl]-5-oxido-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl}amino)cyclobutyl]methanol

  • Molecular FormulaC20H25ClN6O2S
  • Average mass448.970 Da
  • Monoisotopic mass448.144836 Da
  • ChemSpider ID129160248

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[1-({(5R)-2-[4-(5-Chlor-2-pyrimidinyl)-1-piperidinyl]-5-oxido-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl}amino)cyclobutyl]methanol [German] [ACD/IUPAC Name]
[1-({(5R)-2-[4-(5-Chloro-2-pyrimidinyl)-1-piperidinyl]-5-oxido-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl}amino)cyclobutyl]methanol [ACD/IUPAC Name]
[1-({(5R)-2-[4-(5-Chloro-2-pyrimidinyl)-1-pipéridinyl]-5-oxydo-6,7-dihydrothiéno[3,2-d]pyrimidin-4-yl}amino)cyclobutyl]méthanol [French] [ACD/IUPAC Name]
Cyclobutanemethanol, 1-[[(5R)-2-[4-(5-chloro-2-pyrimidinyl)-1-piperidinyl]-6,7-dihydro-5-oxidothieno[3,2-d]pyrimidin-4-yl]amino]- [ACD/Index Name]
1423719-30-5 [RN]
BI-1015550

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

Density: 1.5±0.1 g/cm3
Boiling Point: 747.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.4±3.0 kJ/mol
Flash Point: 406.1±35.7 °C
Index of Refraction: 1.713
Molar Refractivity: 114.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.35
ACD/LogD (pH 5.5): 1.94
ACD/BCF (pH 5.5): 17.03
ACD/KOC (pH 5.5): 255.24
ACD/LogD (pH 7.4): 2.00
ACD/BCF (pH 7.4): 19.34
ACD/KOC (pH 7.4): 289.95
Polar Surface Area: 123 Å2
Polarizability: 45.5±0.5 10-24cm3
Surface Tension: 98.4±5.0 dyne/cm
Molar Volume: 292.9±5.0 cm3

Click to predict properties on the Chemicalize site


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