ChemSpider 2D Image | 3-({3-[(2-Amino-6-fluoro-4-pyridinyl)methyl]-5-isopropyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl}carbonyl)-5-methylbenzonitrile | C22H20FN5O3

3-({3-[(2-Amino-6-fluoro-4-pyridinyl)methyl]-5-isopropyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl}carbonyl)-5-methylbenzonitrile

  • Molecular FormulaC22H20FN5O3
  • Average mass421.424 Da
  • Monoisotopic mass421.155029 Da
  • ChemSpider ID24662100

More details:






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

3-({3-[(2-Amino-6-fluor-4-pyridinyl)methyl]-5-isopropyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl}carbonyl)-5-methylbenzonitril [German] [ACD/IUPAC Name]
3-({3-[(2-Amino-6-fluoro-4-pyridinyl)methyl]-5-isopropyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl}carbonyl)-5-methylbenzonitrile [ACD/IUPAC Name]
3-({3-[(2-Amino-6-fluoro-4-pyridinyl)méthyl]-5-isopropyl-2,6-dioxo-1,2,3,6-tétrahydro-4-pyrimidinyl}carbonyl)-5-méthylbenzonitrile [French] [ACD/IUPAC Name]
3-({3-[(2-amino-6-fluoropyridin-4-yl)methyl]-5-(1-methylethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl}carbonyl)-5-methylbenzonitrile
Benzonitrile, 3-[[3-[(2-amino-6-fluoro-4-pyridinyl)methyl]-1,2,3,6-tetrahydro-5-(1-methylethyl)-2,6-dioxo-4-pyrimidinyl]carbonyl]-5-methyl- [ACD/Index Name]
3-(3-((2-amino-6-fluoropyridin-4-yl)methyl)-5-isopropyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carbonyl)-5-methylbenzonitrile

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.642
Molar Refractivity: 109.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.57
ACD/LogD (pH 5.5): 2.11
ACD/BCF (pH 5.5): 23.77
ACD/KOC (pH 5.5): 336.02
ACD/LogD (pH 7.4): 2.08
ACD/BCF (pH 7.4): 22.18
ACD/KOC (pH 7.4): 313.51
Polar Surface Area: 129 Å2
Polarizability: 43.3±0.5 10-24cm3
Surface Tension: 69.7±5.0 dyne/cm
Molar Volume: 302.3±5.0 cm3

Click to predict properties on the Chemicalize site






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