ChemSpider 2D Image | 5-({2-Cyclopropyl-7,8-bis[(~2~H_3_)methyloxy]-2H-chromen-5-yl}methyl)-2,4-pyrimidinediamine | C19H16D6N4O3

5-({2-Cyclopropyl-7,8-bis[(2H3)methyloxy]-2H-chromen-5-yl}methyl)-2,4-pyrimidinediamine

  • Molecular FormulaC19H16D6N4O3
  • Average mass360.440 Da
  • Monoisotopic mass360.206848 Da
  • ChemSpider ID23977162

  • Non-standard isotope - Non-standard isotope

More details:

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

2,4-Pyrimidinediamine, 5-[[2-cyclopropyl-7,8-bis(methyl-d3-oxy)-2H-1-benzopyran-5-yl]methyl]- [ACD/Index Name]
5-({2-Cyclopropyl-7,8-bis[(2H3)methyloxy]-2H-chromen-5-yl}methyl)-2,4-pyrimidindiamin [German] [ACD/IUPAC Name]
5-({2-Cyclopropyl-7,8-bis[(2H3)methyloxy]-2H-chromen-5-yl}methyl)-2,4-pyrimidinediamine [ACD/IUPAC Name]
5-({2-Cyclopropyl-7,8-bis[(2H3)méthyloxy]-2H-chromén-5-yl}méthyl)-2,4-pyrimidinediamine [French] [ACD/IUPAC Name]
1130072-57-9 [RN]
5-({2-Cyclopropyl-7,8-bis[(2H3)methyloxy]-2H-1-benzopyran-5-yl}methyl)pyrimidine-2,4-diamine
5-[[2-cyclopropyl-7,8-bis(trideuteriomethoxy)-2H-chromen-5-yl]methyl]pyrimidine-2,4-diamine
Iclaprim-d6

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

Density: 1.3±0.1 g/cm3
Boiling Point: 616.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.5±3.0 kJ/mol
Flash Point: 326.8±34.3 °C
Index of Refraction: 1.666
Molar Refractivity: 98.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.20
ACD/LogD (pH 5.5): 0.80
ACD/BCF (pH 5.5): 1.09
ACD/KOC (pH 5.5): 14.64
ACD/LogD (pH 7.4): 2.09
ACD/BCF (pH 7.4): 21.07
ACD/KOC (pH 7.4): 283.68
Polar Surface Area: 106 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 66.8±3.0 dyne/cm
Molar Volume: 265.9±3.0 cm3

Click to predict properties on the Chemicalize site


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