ChemSpider 2D Image | 6-{[(5-Chloro-2-pyrimidinyl)amino]methyl}-4-{[1-(cyclopropylmethyl)-4-piperidinyl]methyl}-3-morpholinone | C19H28ClN5O2

6-{[(5-Chloro-2-pyrimidinyl)amino]methyl}-4-{[1-(cyclopropylmethyl)-4-piperidinyl]methyl}-3-morpholinone

  • Molecular FormulaC19H28ClN5O2
  • Average mass393.911 Da
  • Monoisotopic mass393.193146 Da
  • ChemSpider ID52595285

More details:

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

3-Morpholinone, 6-[[(5-chloro-2-pyrimidinyl)amino]methyl]-4-[[1-(cyclopropylmethyl)-4-piperidinyl]methyl]- [ACD/Index Name]
6-{[(5-Chlor-2-pyrimidinyl)amino]methyl}-4-{[1-(cyclopropylmethyl)-4-piperidinyl]methyl}-3-morpholinon [German] [ACD/IUPAC Name]
6-{[(5-Chloro-2-pyrimidinyl)amino]methyl}-4-{[1-(cyclopropylmethyl)-4-piperidinyl]methyl}-3-morpholinone [ACD/IUPAC Name]
6-{[(5-Chloro-2-pyrimidinyl)amino]méthyl}-4-{[1-(cyclopropylméthyl)-4-pipéridinyl]méthyl}-3-morpholinone [French] [ACD/IUPAC Name]
6-{[(5-chloropyrimidin-2-yl)amino]methyl}-4-{[1-(cyclopropylmethyl)piperidin-4-yl]methyl}morpholin-3-one

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

Density: 1.3±0.1 g/cm3
Boiling Point: 591.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.3±3.0 kJ/mol
Flash Point: 311.8±32.9 °C
Index of Refraction: 1.598
Molar Refractivity: 104.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.80
ACD/LogD (pH 5.5): -0.84
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.53
Polar Surface Area: 71 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 57.8±3.0 dyne/cm
Molar Volume: 306.4±3.0 cm3

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