ChemSpider 2D Image | TERT-BUTYL 2-({[6-(CYCLOPROPYLAMINO)PYRIMIDIN-4-YL]AMINO}METHYL)PYRROLIDINE-1-CARBOXYLATE | C17H27N5O2

TERT-BUTYL 2-({[6-(CYCLOPROPYLAMINO)PYRIMIDIN-4-YL]AMINO}METHYL)PYRROLIDINE-1-CARBOXYLATE

  • Molecular FormulaC17H27N5O2
  • Average mass333.429 Da
  • Monoisotopic mass333.216461 Da
  • ChemSpider ID28303751

More details:

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

1353946-94-7 [RN]
1-Pyrrolidinecarboxylic acid, 2-[[[6-(cyclopropylamino)-4-pyrimidinyl]amino]methyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-({[6-(Cyclopropylamino)-4-pyrimidinyl]amino}méthyl)-1-pyrrolidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl 2-({[6-(cyclopropylamino)-4-pyrimidinyl]amino}methyl)-1-pyrrolidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-2-({[6-(cyclopropylamino)-4-pyrimidinyl]amino}methyl)-1-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
TERT-BUTYL 2-({[6-(CYCLOPROPYLAMINO)PYRIMIDIN-4-YL]AMINO}METHYL)PYRROLIDINE-1-CARBOXYLATE
2-[(6-Cyclopropylamino-pyrimidin-4-ylamino)-methyl ]-pyrrolidine-1-carboxylic acid tert-butyl ester
2-[(6-Cyclopropylaminopyrimidin-4-ylamino)methyl]pyrrolidine-1-carboxylic acid tert-butyl ester
2-[(6-Cyclopropylaminopyrimidin-4-ylamino)-methyl]pyrrolidine-1-carboxylic acid tert-butyl ester
2-[(6-Cyclopropylamino-pyrimidin-4-ylamino)-methyl]-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: 521.4±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.5±3.0 kJ/mol
Flash Point: 269.1±25.9 °C
Index of Refraction: 1.619
Molar Refractivity: 93.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.34
ACD/LogD (pH 5.5): 2.77
ACD/BCF (pH 5.5): 51.83
ACD/KOC (pH 5.5): 382.30
ACD/LogD (pH 7.4): 3.40
ACD/BCF (pH 7.4): 224.78
ACD/KOC (pH 7.4): 1657.92
Polar Surface Area: 79 Å2
Polarizability: 37.1±0.5 10-24cm3
Surface Tension: 64.0±3.0 dyne/cm
Molar Volume: 267.1±3.0 cm3

Click to predict properties on the Chemicalize site


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