ChemSpider 2D Image | 1-[(2-Amino-6-methyl-5-nitro-4-pyrimidinyl)amino]acetone | C8H11N5O3

1-[(2-Amino-6-methyl-5-nitro-4-pyrimidinyl)amino]acetone

  • Molecular FormulaC8H11N5O3
  • Average mass225.205 Da
  • Monoisotopic mass225.086182 Da
  • ChemSpider ID24213046

More details:






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

1-[(2-Amino-6-methyl-5-nitro-4-pyrimidinyl)amino]aceton [German] [ACD/IUPAC Name]
1-[(2-Amino-6-methyl-5-nitro-4-pyrimidinyl)amino]acetone [ACD/IUPAC Name]
1-[(2-Amino-6-méthyl-5-nitro-4-pyrimidinyl)amino]acétone [French] [ACD/IUPAC Name]
2-Propanone, 1-[(2-amino-6-methyl-5-nitro-4-pyrimidinyl)amino]- [ACD/Index Name]
1-((2-amino-6-methyl-5-nitropyrimidin-4-yl)amino)propan-2-one
1-[(2-AMINO-6-METHYL-5-NITROPYRIMIDIN-4-YL)AMINO]PROPAN-2-ONE
2-Propanone, 1-[(2-amino-6-methyl-5-nitro-4-pyrimidinyl)amino]- (9CI)
811439-86-8 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 523.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.7±3.0 kJ/mol
Flash Point: 270.4±32.9 °C
Index of Refraction: 1.651
Molar Refractivity: 56.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.92
ACD/LogD (pH 5.5): 1.09
ACD/BCF (pH 5.5): 3.89
ACD/KOC (pH 5.5): 89.43
ACD/LogD (pH 7.4): 1.13
ACD/BCF (pH 7.4): 4.29
ACD/KOC (pH 7.4): 98.66
Polar Surface Area: 127 Å2
Polarizability: 22.6±0.5 10-24cm3
Surface Tension: 74.6±3.0 dyne/cm
Molar Volume: 155.9±3.0 cm3

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