ChemSpider 2D Image | N~8~-(Cyclopropylmethyl)-2-(2,6-diazaspiro[3.3]hept-2-yl)-N~4~-[2-(methylsulfanyl)phenyl]pyrimido[5,4-d]pyrimidine-4,8-diamine | C22H26N8S

N8-(Cyclopropylmethyl)-2-(2,6-diazaspiro[3.3]hept-2-yl)-N4-[2-(methylsulfanyl)phenyl]pyrimido[5,4-d]pyrimidine-4,8-diamine

  • Molecular FormulaC22H26N8S
  • Average mass434.560 Da
  • Monoisotopic mass434.200104 Da
  • ChemSpider ID28500248

More details:






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

N8-(Cyclopropylmethyl)-2-(2,6-diazaspiro[3.3]hept-2-yl)-N4-[2-(methylsulfanyl)phenyl]pyrimido[5,4-d]pyrimidin-4,8-diamin [German] [ACD/IUPAC Name]
N8-(Cyclopropylmethyl)-2-(2,6-diazaspiro[3.3]hept-2-yl)-N4-[2-(methylsulfanyl)phenyl]pyrimido[5,4-d]pyrimidine-4,8-diamine [ACD/IUPAC Name]
N8-(Cyclopropylméthyl)-2-(2,6-diazaspiro[3.3]hept-2-yl)-N4-[2-(méthylsulfanyl)phényl]pyrimido[5,4-d]pyrimidine-4,8-diamine [French] [ACD/IUPAC Name]
Pyrimido[5,4-d]pyrimidine-4,8-diamine, N8-(cyclopropylmethyl)-2-(2,6-diazaspiro[3.3]hept-2-yl)-N4-[2-(methylthio)phenyl]- [ACD/Index Name]
XNN

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

Density: 1.4±0.1 g/cm3
Boiling Point: 666.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.9±3.0 kJ/mol
Flash Point: 356.6±34.3 °C
Index of Refraction: 1.744
Molar Refractivity: 123.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.40
ACD/LogD (pH 5.5): -0.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.99
ACD/BCF (pH 7.4): 1.53
ACD/KOC (pH 7.4): 18.83
Polar Surface Area: 116 Å2
Polarizability: 48.8±0.5 10-24cm3
Surface Tension: 87.1±5.0 dyne/cm
Molar Volume: 304.1±5.0 cm3

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