Found 389 results

Search term: MF = 'C_{11}H_{18}BrN_{5}O'
ChemSpider 2D Image | 5-Bromo-6-methyl-N~4~-(4-methyl-1,4-oxazepan-6-yl)-2,4-pyrimidinediamine | C11H18BrN5O

5-Bromo-6-methyl-N4-(4-methyl-1,4-oxazepan-6-yl)-2,4-pyrimidinediamine

  • Molecular FormulaC11H18BrN5O
  • Average mass316.198 Da
  • Monoisotopic mass315.069458 Da
  • ChemSpider ID24540223

More details:

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

2,4-Pyrimidinediamine, 5-bromo-N4-(hexahydro-4-methyl-1,4-oxazepin-6-yl)-6-methyl- [ACD/Index Name]
5-Brom-6-methyl-N4-(4-methyl-1,4-oxazepan-6-yl)-2,4-pyrimidindiamin [German] [ACD/IUPAC Name]
5-Bromo-6-methyl-N4-(4-methyl-1,4-oxazepan-6-yl)-2,4-pyrimidinediamine [ACD/IUPAC Name]
5-Bromo-6-méthyl-N4-(4-méthyl-1,4-oxazépan-6-yl)-2,4-pyrimidinediamine [French] [ACD/IUPAC Name]
(2-amino-5-bromo-6-methylpyrimidin-4-yl)(4-methyl(1,4-oxazaperhydroepin-6-yl))amine
5-bromo-6-methyl-N4-(4-methyl-1,4-oxazepan-6-yl)pyrimidine-2,4-diamine

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

Density: 1.5±0.1 g/cm3
Boiling Point: 504.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.3±3.0 kJ/mol
Flash Point: 258.6±32.9 °C
Index of Refraction: 1.625
Molar Refractivity: 75.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.26
ACD/LogD (pH 5.5): -0.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.40
ACD/BCF (pH 7.4): 4.85
ACD/KOC (pH 7.4): 71.49
Polar Surface Area: 76 Å2
Polarizability: 29.8±0.5 10-24cm3
Surface Tension: 61.9±3.0 dyne/cm
Molar Volume: 212.4±3.0 cm3

Click to predict properties on the Chemicalize site


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