ChemSpider 2D Image | 2-{4-[4-Cyclopropyl-5-(1-pyrrolidinylmethyl)-4H-1,2,4-triazol-3-yl]-1-piperidinyl}-4-pyrimidinamine | C19H28N8

2-{4-[4-Cyclopropyl-5-(1-pyrrolidinylmethyl)-4H-1,2,4-triazol-3-yl]-1-piperidinyl}-4-pyrimidinamine

  • Molecular FormulaC19H28N8
  • Average mass368.479 Da
  • Monoisotopic mass368.243683 Da
  • ChemSpider ID29536689

More details:






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

2-{4-[4-Cyclopropyl-5-(1-pyrrolidinylmethyl)-4H-1,2,4-triazol-3-yl]-1-piperidinyl}-4-pyrimidinamin [German] [ACD/IUPAC Name]
2-{4-[4-Cyclopropyl-5-(1-pyrrolidinylmethyl)-4H-1,2,4-triazol-3-yl]-1-piperidinyl}-4-pyrimidinamine [ACD/IUPAC Name]
2-{4-[4-Cyclopropyl-5-(1-pyrrolidinylméthyl)-4H-1,2,4-triazol-3-yl]-1-pipéridinyl}-4-pyrimidinamine [French] [ACD/IUPAC Name]
4-Pyrimidinamine, 2-[4-[4-cyclopropyl-5-(1-pyrrolidinylmethyl)-4H-1,2,4-triazol-3-yl]-1-piperidinyl]- [ACD/Index Name]
2-{4-[4-cyclopropyl-5-(pyrrolidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]piperidin-1-yl}pyrimidin-4-amine

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 645.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.2±3.0 kJ/mol
Flash Point: 343.9±34.3 °C
Index of Refraction: 1.791
Molar Refractivity: 103.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.73
ACD/LogD (pH 5.5): -1.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.92
Polar Surface Area: 89 Å2
Polarizability: 41.0±0.5 10-24cm3
Surface Tension: 69.0±7.0 dyne/cm
Molar Volume: 243.8±7.0 cm3

Click to predict properties on the Chemicalize site






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