Found 350 results

Search term: MF = 'C_{13}H_{18}N_{8}'
ChemSpider 2D Image | 5-Amino-3-(3-{[4-(dimethylamino)-2-pyrimidinyl]amino}propyl)-1H-pyrazole-4-carbonitrile | C13H18N8

5-Amino-3-(3-{[4-(dimethylamino)-2-pyrimidinyl]amino}propyl)-1H-pyrazole-4-carbonitrile

  • Molecular FormulaC13H18N8
  • Average mass286.336 Da
  • Monoisotopic mass286.165436 Da
  • ChemSpider ID30123923

More details:

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

1H-Pyrazole-4-carbonitrile, 5-amino-3-[3-[[4-(dimethylamino)-2-pyrimidinyl]amino]propyl]- [ACD/Index Name]
5-Amino-3-(3-{[4-(dimethylamino)-2-pyrimidinyl]amino}propyl)-1H-pyrazol-4-carbonitril [German] [ACD/IUPAC Name]
5-Amino-3-(3-{[4-(dimethylamino)-2-pyrimidinyl]amino}propyl)-1H-pyrazole-4-carbonitrile [ACD/IUPAC Name]
5-Amino-3-(3-{[4-(diméthylamino)-2-pyrimidinyl]amino}propyl)-1H-pyrazole-4-carbonitrile [French] [ACD/IUPAC Name]
3-AMINO-5-(3-{[4-(DIMETHYLAMINO)PYRIMIDIN-2-YL]AMINO}PROPYL)-2H-PYRAZOLE-4-CARBONITRILE
5-AMINO-3-(3-{[4-(DIMETHYLAMINO)PYRIMIDIN-2-YL]AMINO}PROPYL)-1H-PYRAZOLE-4-CARBONITRILE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 611.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.8±3.0 kJ/mol
Flash Point: 323.7±34.3 °C
Index of Refraction: 1.634
Molar Refractivity: 77.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.39
ACD/LogD (pH 5.5): -0.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.15
ACD/LogD (pH 7.4): 0.89
ACD/BCF (pH 7.4): 2.06
ACD/KOC (pH 7.4): 40.49
Polar Surface Area: 120 Å2
Polarizability: 30.8±0.5 10-24cm3
Surface Tension: 82.4±5.0 dyne/cm
Molar Volume: 217.1±5.0 cm3

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