ChemSpider 2D Image | tert-butyl [(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]carbamate | C12H17N5O3

tert-butyl [(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]carbamate

  • Molecular FormulaC12H17N5O3
  • Average mass279.295 Da
  • Monoisotopic mass279.133148 Da
  • ChemSpider ID25056655

More details:






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

[(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)méthyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(2-amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
tert-butyl [(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]carbamate
BPQ
tert-butyl N-({2-amino-4-oxo-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-5-yl}methyl)carbamate
tert-butyl N-({2-amino-4-oxo-3H,7H-pyrrolo[2,3-d]pyrimidin-5-yl}methyl)carbamate

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.665
Molar Refractivity: 69.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -0.19
ACD/LogD (pH 5.5): 0.42
ACD/BCF (pH 5.5): 1.17
ACD/KOC (pH 5.5): 37.04
ACD/LogD (pH 7.4): 0.49
ACD/BCF (pH 7.4): 1.39
ACD/KOC (pH 7.4): 43.97
Polar Surface Area: 122 Å2
Polarizability: 27.7±0.5 10-24cm3
Surface Tension: 56.9±7.0 dyne/cm
Molar Volume: 188.3±7.0 cm3

Click to predict properties on the Chemicalize site






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