ChemSpider 2D Image | tert-butyl (3S)-3-[(4,6-dimethylpyrimidin-2-yl)amino]pyrrolidine-1-carboxylate | C15H24N4O2

tert-butyl (3S)-3-[(4,6-dimethylpyrimidin-2-yl)amino]pyrrolidine-1-carboxylate

  • Molecular FormulaC15H24N4O2
  • Average mass292.377 Da
  • Monoisotopic mass292.189911 Da
  • ChemSpider ID27458442

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-3-[(4,6-Diméthyl-2-pyrimidinyl)amino]-1-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1289585-51-8 [RN]
1-Pyrrolidinecarboxylic acid, 3-[(4,6-dimethyl-2-pyrimidinyl)amino]-, 1,1-dimethylethyl ester, (3S)- [ACD/Index Name]
2-Methyl-2-propanyl (3S)-3-[(4,6-dimethyl-2-pyrimidinyl)amino]-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(3S)-3-[(4,6-dimethyl-2-pyrimidinyl)amino]-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
tert-butyl (3S)-3-[(4,6-dimethylpyrimidin-2-yl)amino]pyrrolidine-1-carboxylate
(S)-1-Boc-3-(4,6-Dimethylpyrimidin-2-ylamino)pyrrolidine
(S)-3-(4,6-Dimethylpyrimidin-2-ylamino)pyrrolidine-1-carboxylic acid tert-butyl ester
(S)-3-(4,6-Dimethylpyrimidin-2-ylamino)-pyrrolidine-1-carboxylic acid tert-butyl ester
(S)-3-(4,6-Dimethyl-pyrimidin-2-ylamino)-pyrrolidine-1-carboxylic acid tert-butyl ester
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 439.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.6±3.0 kJ/mol
Flash Point: 219.4±31.5 °C
Index of Refraction: 1.566
Molar Refractivity: 81.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.08
ACD/LogD (pH 5.5): 2.75
ACD/BCF (pH 5.5): 68.53
ACD/KOC (pH 5.5): 672.01
ACD/LogD (pH 7.4): 2.85
ACD/BCF (pH 7.4): 85.94
ACD/KOC (pH 7.4): 842.77
Polar Surface Area: 67 Å2
Polarizability: 32.5±0.5 10-24cm3
Surface Tension: 52.9±3.0 dyne/cm
Molar Volume: 250.9±3.0 cm3

Click to predict properties on the Chemicalize site


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