ChemSpider 2D Image | (R)-tert-Butyl 3-((6-aminopyrimidin-4-yl)oxy)pyrrolidine-1-carboxylate | C13H20N4O3

(R)-tert-Butyl 3-((6-aminopyrimidin-4-yl)oxy)pyrrolidine-1-carboxylate

  • Molecular FormulaC13H20N4O3
  • Average mass280.323 Da
  • Monoisotopic mass280.153534 Da
  • ChemSpider ID28303612

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(R)-tert-Butyl 3-((6-aminopyrimidin-4-yl)oxy)pyrrolidine-1-carboxylate
1354011-40-7 [RN]
(3R)-3-[(6-Amino-4-pyrimidinyl)oxy]-1-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
(R)-3-(6-aminopyrimidin-4-yloxy)pyrrolidine-1-carboxylic acid tert-butyl ester
(R)-3-(6-aminopyrimidin-4-yloxy)-pyrrolidine-1-carboxylic acid tert-butyl ester
(R)-3-(6-Amino-pyrimidin-4-yloxy)-pyrrolidine-1-carboxylic acid tert-butyl ester
(r)-tert-butyl3-((6-aminopyrimidin-4-yl)oxy)pyrrolidine-1-carboxylate
1-Pyrrolidinecarboxylic acid, 3-[(6-amino-4-pyrimidinyl)oxy]-, 1,1-dimethylethyl ester, (3R)- [ACD/Index Name]
2-Methyl-2-propanyl (3R)-3-[(6-amino-4-pyrimidinyl)oxy]-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(3R)-3-[(6-amino-4-pyrimidinyl)oxy]-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
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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: 448.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.7±3.0 kJ/mol
Flash Point: 225.0±28.7 °C
Index of Refraction: 1.567
Molar Refractivity: 73.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.03
ACD/LogD (pH 5.5): 1.04
ACD/BCF (pH 5.5): 3.61
ACD/KOC (pH 5.5): 85.98
ACD/LogD (pH 7.4): 1.06
ACD/BCF (pH 7.4): 3.78
ACD/KOC (pH 7.4): 90.14
Polar Surface Area: 91 Å2
Polarizability: 29.2±0.5 10-24cm3
Surface Tension: 57.6±3.0 dyne/cm
Molar Volume: 225.2±3.0 cm3

Click to predict properties on the Chemicalize site


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