ChemSpider 2D Image | N~8~-(Cyclopropylmethyl)-N~4~-(2-methylphenyl)-2-(1-piperazinyl)pyrimido[5,4-d]pyrimidine-4,8-diamine | C21H26N8

N8-(Cyclopropylmethyl)-N4-(2-methylphenyl)-2-(1-piperazinyl)pyrimido[5,4-d]pyrimidine-4,8-diamine

  • Molecular FormulaC21H26N8
  • Average mass390.485 Da
  • Monoisotopic mass390.228058 Da
  • ChemSpider ID28530413

More details:






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

N8-(Cyclopropylmethyl)-N4-(2-methylphenyl)-2-(1-piperazinyl)pyrimido[5,4-d]pyrimidin-4,8-diamin [German] [ACD/IUPAC Name]
N8-(Cyclopropylmethyl)-N4-(2-methylphenyl)-2-(1-piperazinyl)pyrimido[5,4-d]pyrimidine-4,8-diamine [ACD/IUPAC Name]
N8-(Cyclopropylméthyl)-N4-(2-méthylphényl)-2-(1-pipérazinyl)pyrimido[5,4-d]pyrimidine-4,8-diamine [French] [ACD/IUPAC Name]
N8-(Cyclopropylmethyl)-N4-(2-Methylphenyl)-2-(Piperazin-1-Yl)pyrimido[5,4-D]pyrimidine-4,8-Diamine
Pyrimido[5,4-d]pyrimidine-4,8-diamine, N8-(cyclopropylmethyl)-N4-(2-methylphenyl)-2-(1-piperazinyl)- [ACD/Index Name]
XNA

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

Density: 1.3±0.1 g/cm3
Boiling Point: 627.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.8±3.0 kJ/mol
Flash Point: 333.2±34.3 °C
Index of Refraction: 1.711
Molar Refractivity: 115.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.53
ACD/LogD (pH 5.5): 0.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.50
ACD/LogD (pH 7.4): 2.16
ACD/BCF (pH 7.4): 16.61
ACD/KOC (pH 7.4): 155.56
Polar Surface Area: 91 Å2
Polarizability: 45.9±0.5 10-24cm3
Surface Tension: 74.8±3.0 dyne/cm
Molar Volume: 295.8±3.0 cm3

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