ChemSpider 2D Image | (6S)-N-(4-Methoxyphenyl)-N,2,6-trimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine | C17H21N3O

(6S)-N-(4-Methoxyphenyl)-N,2,6-trimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

  • Molecular FormulaC17H21N3O
  • Average mass283.368 Da
  • Monoisotopic mass283.168457 Da
  • ChemSpider ID26628849
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(6S)-N-(4-Methoxyphenyl)-N,2,6-trimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amin [German] [ACD/IUPAC Name]
(6S)-N-(4-Methoxyphenyl)-N,2,6-trimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine [ACD/IUPAC Name]
(6S)-N-(4-Méthoxyphényl)-N,2,6-triméthyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine [French] [ACD/IUPAC Name]
5H-Cyclopenta[d]pyrimidin-4-amine, 6,7-dihydro-N-(4-methoxyphenyl)-N,2,6-trimethyl-, (6S)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 450.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.0±3.0 kJ/mol
Flash Point: 226.5±28.7 °C
Index of Refraction: 1.595
Molar Refractivity: 84.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.14
ACD/LogD (pH 5.5): 2.59
ACD/BCF (pH 5.5): 28.56
ACD/KOC (pH 5.5): 176.07
ACD/LogD (pH 7.4): 3.71
ACD/BCF (pH 7.4): 370.73
ACD/KOC (pH 7.4): 2285.62
Polar Surface Area: 38 Å2
Polarizability: 33.7±0.5 10-24cm3
Surface Tension: 46.4±3.0 dyne/cm
Molar Volume: 249.8±3.0 cm3

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