ChemSpider 2D Image | 1-[Isopropyl(methyl)amino]-3-[2-methoxy-4-({[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]amino}methyl)phenoxy]-2-propanol | C25H38N4O3

1-[Isopropyl(methyl)amino]-3-[2-methoxy-4-({[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]amino}methyl)phenoxy]-2-propanol

  • Molecular FormulaC25H38N4O3
  • Average mass442.594 Da
  • Monoisotopic mass442.294403 Da
  • ChemSpider ID22172030

More details:

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

1-[Isopropyl(methyl)amino]-3-[2-methoxy-4-({[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]amino}methyl)phenoxy]-2-propanol [ACD/IUPAC Name]
1-[Isopropyl(methyl)amino]-3-[2-methoxy-4-({[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]amino}methyl)phenoxy]-2-propanol [German] [ACD/IUPAC Name]
1-[Isopropyl(méthyl)amino]-3-[2-méthoxy-4-({[2-(4-méthyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)éthyl]amino}méthyl)phénoxy]-2-propanol [French] [ACD/IUPAC Name]
2-Propanol, 1-[4-[[[2-(6,7-dihydro-4-methyl-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]amino]methyl]-2-methoxyphenoxy]-3-[methyl(1-methylethyl)amino]- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 604.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.5±3.0 kJ/mol
Flash Point: 319.4±31.5 °C
Index of Refraction: 1.566
Molar Refractivity: 128.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 3.17
ACD/LogD (pH 5.5): -0.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.71
ACD/BCF (pH 7.4): 4.58
ACD/KOC (pH 7.4): 33.76
Polar Surface Area: 80 Å2
Polarizability: 50.8±0.5 10-24cm3
Surface Tension: 46.5±3.0 dyne/cm
Molar Volume: 392.6±3.0 cm3

Click to predict properties on the Chemicalize site


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