ChemSpider 2D Image | 2-Amino-8-[cis-4-(2-hydroxyethoxy)cyclohexyl]-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7(8H)-one | C22H27N5O4

2-Amino-8-[cis-4-(2-hydroxyethoxy)cyclohexyl]-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7(8H)-one

  • Molecular FormulaC22H27N5O4
  • Average mass425.481 Da
  • Monoisotopic mass425.206299 Da
  • ChemSpider ID34066405
  • defined stereocentres - 1 of 2 defined stereocentres


More details:






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

2-Amino-8-[cis-4-(2-hydroxyethoxy)cyclohexyl]-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7(8H)-on [German] [ACD/IUPAC Name]
2-Amino-8-[cis-4-(2-hydroxyethoxy)cyclohexyl]-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7(8H)-one [ACD/IUPAC Name]
2-Amino-8-[cis-4-(2-hydroxyéthoxy)cyclohexyl]-6-(6-méthoxy-3-pyridinyl)-4-méthylpyrido[2,3-d]pyrimidin-7(8H)-one [French] [ACD/IUPAC Name]
Pyrido[2,3-d]pyrimidin-7(8H)-one, 2-amino-8-[cis-4-(2-hydroxyethoxy)cyclohexyl]-6-(6-methoxy-3-pyridinyl)-4-methyl- [ACD/Index Name]
1013101-36-4 [RN]

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

PF-04691502 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 682.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.2±3.0 kJ/mol
Flash Point: 366.5±34.3 °C
Index of Refraction: 1.646
Molar Refractivity: 113.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.43
ACD/LogD (pH 5.5): 1.45
ACD/BCF (pH 5.5): 6.73
ACD/KOC (pH 5.5): 119.92
ACD/LogD (pH 7.4): 1.65
ACD/BCF (pH 7.4): 10.48
ACD/KOC (pH 7.4): 186.66
Polar Surface Area: 124 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 74.8±5.0 dyne/cm
Molar Volume: 312.0±5.0 cm3

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