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ChemSpider 2D Image | N~8~-(Cyclopropylmethyl)-N~4~-[2-(methylsulfanyl)phenyl]-2-[4-(4-piperidinyl)-1-piperazinyl]pyrimido[5,4-d]pyrimidine-4,8-diamine | C26H35N9S

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

  • Molecular FormulaC26H35N9S
  • Average mass505.681 Da
  • Monoisotopic mass505.273621 Da
  • ChemSpider ID28507353

More details:

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

N8-(Cyclopropylmethyl)-N4-[2-(methylsulfanyl)phenyl]-2-[4-(4-piperidinyl)-1-piperazinyl]pyrimido[5,4-d]pyrimidin-4,8-diamin [German] [ACD/IUPAC Name]
N8-(Cyclopropylmethyl)-N4-[2-(methylsulfanyl)phenyl]-2-[4-(4-piperidinyl)-1-piperazinyl]pyrimido[5,4-d]pyrimidine-4,8-diamine [ACD/IUPAC Name]
N8-(Cyclopropylméthyl)-N4-[2-(méthylsulfanyl)phényl]-2-[4-(4-pipéridinyl)-1-pipérazinyl]pyrimido[5,4-d]pyrimidine-4,8-diamine [French] [ACD/IUPAC Name]
Pyrimido[5,4-d]pyrimidine-4,8-diamine, N8-(cyclopropylmethyl)-N4-[2-(methylthio)phenyl]-2-[4-(4-piperidinyl)-1-piperazinyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 701.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.7±3.0 kJ/mol
Flash Point: 378.3±35.7 °C
Index of Refraction: 1.704
Molar Refractivity: 145.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 1.93
ACD/LogD (pH 5.5): -0.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.04
Polar Surface Area: 119 Å2
Polarizability: 57.7±0.5 10-24cm3
Surface Tension: 78.9±5.0 dyne/cm
Molar Volume: 375.0±5.0 cm3

Click to predict properties on the Chemicalize site


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