ChemSpider 2D Image | 6-[4-(Dimethylamino)phenyl]-4-imino-3-[3-(trifluoromethyl)phenyl]-1,3,4,5-tetrahydropyrimido[5,4-d]pyrimidine-2,8-dione | C21H17F3N6O2

6-[4-(Dimethylamino)phenyl]-4-imino-3-[3-(trifluoromethyl)phenyl]-1,3,4,5-tetrahydropyrimido[5,4-d]pyrimidine-2,8-dione

  • Molecular FormulaC21H17F3N6O2
  • Average mass442.394 Da
  • Monoisotopic mass442.136505 Da
  • ChemSpider ID24752017

More details:

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

6-[4-(Dimethylamino)phenyl]-4-imino-3-[3-(trifluormethyl)phenyl]-1,3,4,5-tetrahydropyrimido[5,4-d]pyrimidin-2,8-dion [German] [ACD/IUPAC Name]
6-[4-(Dimethylamino)phenyl]-4-imino-3-[3-(trifluoromethyl)phenyl]-1,3,4,5-tetrahydropyrimido[5,4-d]pyrimidine-2,8-dione [ACD/IUPAC Name]
6-[4-(Diméthylamino)phényl]-4-imino-3-[3-(trifluorométhyl)phényl]-1,3,4,5-tétrahydropyrimido[5,4-d]pyrimidine-2,8-dione [French] [ACD/IUPAC Name]
Pyrimido[5,4-d]pyrimidine-2,8-dione, 6-[4-(dimethylamino)phenyl]-1,3,4,7-tetrahydro-4-imino-3-[3-(trifluoromethyl)phenyl]- [ACD/Index Name]
1119391-72-8 [RN]
6-(4-(dimethylamino)phenyl)-4-imino-3-(3-(trifluoromethyl)phenyl)-1,3,7-trihydro-5,7-diazaquinazoline-2,8-dione
6-[4-(dimethylamino)phenyl]-4-imino-3-[3-(trifluoromethyl)phenyl]-1,3,7-trihydropyrimidino[5,4-d]pyrimidine-2,8-dione
6-[4-(dimethylamino)phenyl]-4-imino-3-[3-(trifluoromethyl)phenyl]-1H,2H,3H,4H,7H,8H-[1,3]diazino[5,4-d]pyrimidine-2,8-dione
MFCD00245595 [MDL number]
MS-8761

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.663
Molar Refractivity: 109.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.76
ACD/LogD (pH 5.5): -0.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.57
ACD/LogD (pH 7.4): -0.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.47
Polar Surface Area: 101 Å2
Polarizability: 43.4±0.5 10-24cm3
Surface Tension: 51.6±7.0 dyne/cm
Molar Volume: 295.7±7.0 cm3

Click to predict properties on the Chemicalize site


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