ChemSpider 2D Image | 9-(4-Bromophenyl)-1-methyl-3-(1-naphthylmethyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione | C26H22BrN5O2

9-(4-Bromophenyl)-1-methyl-3-(1-naphthylmethyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione

  • Molecular FormulaC26H22BrN5O2
  • Average mass516.389 Da
  • Monoisotopic mass515.095703 Da
  • ChemSpider ID21037136

More details:

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

9-(4-Bromophenyl)-1-methyl-3-(1-naphthylmethyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione [ACD/IUPAC Name]
9-(4-Bromophényl)-1-méthyl-3-(1-naphtylméthyl)-6,7,8,9-tétrahydropyrimido[2,1-f]purine-2,4(1H,3H)-dione [French] [ACD/IUPAC Name]
9-(4-Bromphenyl)-1-methyl-3-(1-naphthylmethyl)-6,7,8,9-tetrahydropyrimido[2,1-f]purin-2,4(1H,3H)-dion [German] [ACD/IUPAC Name]
Pyrimido[2,1-f]purine-2,4(1H,3H)-dione, 9-(4-bromophenyl)-6,7,8,9-tetrahydro-1-methyl-3-(1-naphthalenylmethyl)- [ACD/Index Name]
9-(4-bromophenyl)-1-methyl-3-[(naphthalen-1-yl)methyl]-1H,2H,3H,4H,6H,7H,8H,9H-pyrimido[1,2-g]purine-2,4-dione
921076-99-5 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 734.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.2±3.0 kJ/mol
Flash Point: 398.1±35.7 °C
Index of Refraction: 1.743
Molar Refractivity: 135.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 5.56
ACD/LogD (pH 5.5): 5.39
ACD/BCF (pH 5.5): 7305.70
ACD/KOC (pH 5.5): 20129.06
ACD/LogD (pH 7.4): 5.40
ACD/BCF (pH 7.4): 7505.72
ACD/KOC (pH 7.4): 20680.15
Polar Surface Area: 62 Å2
Polarizability: 53.5±0.5 10-24cm3
Surface Tension: 61.1±7.0 dyne/cm
Molar Volume: 333.7±7.0 cm3

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