ChemSpider 2D Image | 4-Amino-1,6,7,8-tetrahydro-5H-pyrimido[4,5-e][1,4]diazepin-5-one | C7H9N5O

4-Amino-1,6,7,8-tetrahydro-5H-pyrimido[4,5-e][1,4]diazepin-5-one

  • Molecular FormulaC7H9N5O
  • Average mass179.179 Da
  • Monoisotopic mass179.080704 Da
  • ChemSpider ID24808392

More details:

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

4-Amino-1,6,7,8-tetrahydro-5H-pyrimido[4,5-e][1,4]diazepin-5-on [German] [ACD/IUPAC Name]
4-Amino-1,6,7,8-tetrahydro-5H-pyrimido[4,5-e][1,4]diazepin-5-one [ACD/IUPAC Name]
4-Amino-1,6,7,8-tétrahydro-5H-pyrimido[4,5-e][1,4]diazépin-5-one [French] [ACD/IUPAC Name]
5H-Pyrimido[4,5-e][1,4]diazepin-5-one, 4-amino-6,7,8,9-tetrahydro- [ACD/Index Name]
Kinome_3429

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

Density: 1.4±0.1 g/cm3
Boiling Point: 604.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.9±3.0 kJ/mol
Flash Point: 319.4±31.5 °C
Index of Refraction: 1.613
Molar Refractivity: 45.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -2.21
ACD/LogD (pH 5.5): -0.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.46
ACD/LogD (pH 7.4): -0.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.11
Polar Surface Area: 93 Å2
Polarizability: 18.1±0.5 10-24cm3
Surface Tension: 65.3±3.0 dyne/cm
Molar Volume: 131.3±3.0 cm3

Click to predict properties on the Chemicalize site


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