ChemSpider 2D Image | 4-((5-Chloro-4-(methylamino)pyrimidin-2-yl)amino)-3-cyclobutoxybenzoic acid | C16H17ClN4O3

4-((5-Chloro-4-(methylamino)pyrimidin-2-yl)amino)-3-cyclobutoxybenzoic acid

  • Molecular FormulaC16H17ClN4O3
  • Average mass348.784 Da
  • Monoisotopic mass348.098907 Da
  • ChemSpider ID32058099

More details:

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

1351762-30-5 [RN]
4-((5-Chloro-4-(methylamino)pyrimidin-2-yl)amino)-3-cyclobutoxybenzoic acid
4-{[5-Chlor-4-(methylamino)-2-pyrimidinyl]amino}-3-(cyclobutyloxy)benzoesäure [German] [ACD/IUPAC Name]
4-{[5-Chloro-4-(methylamino)-2-pyrimidinyl]amino}-3-(cyclobutyloxy)benzoic acid [ACD/IUPAC Name]
Acide 4-{[5-chloro-4-(méthylamino)-2-pyrimidinyl]amino}-3-(cyclobutyloxy)benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[5-chloro-4-(methylamino)-2-pyrimidinyl]amino]-3-(cyclobutyloxy)- [ACD/Index Name]
4-{[5-CHLORO-4-(METHYLAMINO)PYRIMIDIN-2-YL]AMINO}-3-CYCLOBUTOXYBENZOIC ACID

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

Density: 1.5±0.1 g/cm3
Boiling Point: 600.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.0±3.0 kJ/mol
Flash Point: 317.2±34.3 °C
Index of Refraction: 1.702
Molar Refractivity: 91.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.95
ACD/LogD (pH 5.5): 2.05
ACD/BCF (pH 5.5): 9.24
ACD/KOC (pH 5.5): 63.99
ACD/LogD (pH 7.4): 0.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.74
Polar Surface Area: 96 Å2
Polarizability: 36.4±0.5 10-24cm3
Surface Tension: 71.9±3.0 dyne/cm
Molar Volume: 236.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement