ChemSpider 2D Image | N-Butyl-2-(butylamino)-4-[(trans-4-hydroxycyclohexyl)amino]-N-methyl-5-pyrimidinecarboxamide | C20H35N5O2

N-Butyl-2-(butylamino)-4-[(trans-4-hydroxycyclohexyl)amino]-N-methyl-5-pyrimidinecarboxamide

  • Molecular FormulaC20H35N5O2
  • Average mass377.524 Da
  • Monoisotopic mass377.279083 Da
  • ChemSpider ID31129517
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

5-Pyrimidinecarboxamide, N-butyl-2-(butylamino)-4-[(trans-4-hydroxycyclohexyl)amino]-N-methyl- [ACD/Index Name]
N-Butyl-2-(butylamino)-4-[(trans-4-hydroxycyclohexyl)amino]-N-methyl-5-pyrimidincarboxamid [German] [ACD/IUPAC Name]
N-Butyl-2-(butylamino)-4-[(trans-4-hydroxycyclohexyl)amino]-N-methyl-5-pyrimidinecarboxamide [ACD/IUPAC Name]
N-Butyl-2-(butylamino)-4-[(trans-4-hydroxycyclohexyl)amino]-N-méthyl-5-pyrimidinecarboxamide [French] [ACD/IUPAC Name]
N-Butyl-2-(Butylamino)-4-[(Trans-4-Hydroxycyclohexyl)amino]-N-Methylpyrimidine-5-Carboxamide
10.1021/jm4013888
MH7

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

Density: 1.1±0.1 g/cm3
Boiling Point: 598.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.7±3.0 kJ/mol
Flash Point: 315.8±32.9 °C
Index of Refraction: 1.587
Molar Refractivity: 110.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 2.35
ACD/LogD (pH 5.5): 2.64
ACD/BCF (pH 5.5): 45.46
ACD/KOC (pH 5.5): 387.85
ACD/LogD (pH 7.4): 3.12
ACD/BCF (pH 7.4): 137.06
ACD/KOC (pH 7.4): 1169.43
Polar Surface Area: 90 Å2
Polarizability: 43.8±0.5 10-24cm3
Surface Tension: 50.7±3.0 dyne/cm
Molar Volume: 328.6±3.0 cm3

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