ChemSpider 2D Image | 6-Chloro-N~4~-[(2S)-tetrahydro-2-furanylmethyl]-2,4-pyrimidinediamine | C9H13ClN4O

6-Chloro-N4-[(2S)-tetrahydro-2-furanylmethyl]-2,4-pyrimidinediamine

  • Molecular FormulaC9H13ClN4O
  • Average mass228.679 Da
  • Monoisotopic mass228.077789 Da
  • ChemSpider ID62320775

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4E)-6-Chlor-N4-[(2S)-tetrahydro-2-furanylmethyl]-2,4(1H,3H)-pyrimidindiimin [German] [ACD/IUPAC Name]
(4E)-6-Chloro-N4-[(2S)-tetrahydro-2-furanylmethyl]-2,4(1H,3H)-pyrimidinediimine [ACD/IUPAC Name]
(4E)-6-Chloro-N4-[(2S)-tétrahydro-2-furanylméthyl]-2,4(1H,3H)-pyrimidinediimine [French] [ACD/IUPAC Name]
2,4-Pyrimidinediamine, 6-chloro-N4-[[(2S)-tetrahydro-2-furanyl]methyl]- [ACD/Index Name]
2-Furanmethanamine, N-[(4E)-6-chloro-2,3-dihydro-2-imino-4(1H)-pyrimidinylidene]tetrahydro-, (2S)- [ACD/Index Name]
6-Chlor-N4-[(2S)-tetrahydro-2-furanylmethyl]-2,4-pyrimidindiamin [German] [ACD/IUPAC Name]
6-Chloro-N4-[(2S)-tetrahydro-2-furanylmethyl]-2,4-pyrimidinediamine [ACD/IUPAC Name]
6-Chloro-N4-[(2S)-tétrahydro-2-furanylméthyl]-2,4-pyrimidinediamine [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 323.5±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.5±3.0 kJ/mol
Flash Point: 149.4±30.7 °C
Index of Refraction: 1.686
Molar Refractivity: 56.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.36
ACD/LogD (pH 5.5): -1.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 70 Å2
Polarizability: 22.2±0.5 10-24cm3
Surface Tension: 58.3±7.0 dyne/cm
Molar Volume: 147.2±7.0 cm3

Click to predict properties on the Chemicalize site


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