ChemSpider 2D Image | 2-[4-amino-2-[(1R,2S)-2-methylcyclohexoxy]-5-oxo-pyrido[2,3-d]pyrimidin-8-yl]acetonitrile | C16H19N5O2

2-[4-amino-2-[(1R,2S)-2-methylcyclohexoxy]-5-oxo-pyrido[2,3-d]pyrimidin-8-yl]acetonitrile

  • Molecular FormulaC16H19N5O2
  • Average mass313.354 Da
  • Monoisotopic mass313.153870 Da
  • ChemSpider ID28529162

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[4-Amino-2-{[(1R,2S)-2-methylcyclohexyl]oxy}-5-oxopyrido[2,3-d]pyrimidin-8(5H)-yl]acetonitril [German] [ACD/IUPAC Name]
[4-Amino-2-{[(1R,2S)-2-methylcyclohexyl]oxy}-5-oxopyrido[2,3-d]pyrimidin-8(5H)-yl]acetonitrile [ACD/IUPAC Name]
[4-Amino-2-{[(1R,2S)-2-méthylcyclohexyl]oxy}-5-oxopyrido[2,3-d]pyrimidin-8(5H)-yl]acétonitrile [French] [ACD/IUPAC Name]
Pyrido[2,3-d]pyrimidine-8(5H)-acetonitrile, 4-amino-2-[[(1R,2S)-2-methylcyclohexyl]oxy]-5-oxo- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 576.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.3±3.0 kJ/mol
Flash Point: 302.1±32.9 °C
Index of Refraction: 1.605
Molar Refractivity: 83.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.55
ACD/LogD (pH 5.5): 1.50
ACD/BCF (pH 5.5): 8.09
ACD/KOC (pH 5.5): 155.41
ACD/LogD (pH 7.4): 1.50
ACD/BCF (pH 7.4): 8.09
ACD/KOC (pH 7.4): 155.49
Polar Surface Area: 105 Å2
Polarizability: 33.2±0.5 10-24cm3
Surface Tension: 63.1±3.0 dyne/cm
Molar Volume: 243.3±3.0 cm3

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