ChemSpider 2D Image | [4-({5-Carbamoyl-4-[(3-methylphenyl)amino]-2-pyrimidinyl}amino)phenyl]acetic acid | C20H19N5O3

[4-({5-Carbamoyl-4-[(3-methylphenyl)amino]-2-pyrimidinyl}amino)phenyl]acetic acid

  • Molecular FormulaC20H19N5O3
  • Average mass377.397 Da
  • Monoisotopic mass377.148804 Da
  • ChemSpider ID25058535

More details:

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

[4-({5-(AMINOCARBONYL)-4-[(3-METHYLPHENYL)AMINO]PYRIMIDIN-2-YL}AMINO)PHENYL]ACETIC ACID
[4-({5-Carbamoyl-4-[(3-methylphenyl)amino]-2-pyrimidinyl}amino)phenyl]acetic acid [ACD/IUPAC Name]
[4-({5-Carbamoyl-4-[(3-methylphenyl)amino]-2-pyrimidinyl}amino)phenyl]essigsäure [German] [ACD/IUPAC Name]
Acide [4-({5-carbamoyl-4-[(3-méthylphényl)amino]-2-pyrimidinyl}amino)phényl]acétique [French] [ACD/IUPAC Name]
Benzeneacetic acid, 4-[[5-(aminocarbonyl)-4-[(3-methylphenyl)amino]-2-pyrimidinyl]amino]- [ACD/Index Name]
[4-({5-carbamoyl-4-[(3-methylphenyl)amino]pyrimidin-2-yl}amino)phenyl]acetic acid
2-[4-({5-carbamoyl-4-[(3-methylphenyl)amino]pyrimidin-2-yl}amino)phenyl]acetic acid
S91

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

Density: 1.4±0.1 g/cm3
Boiling Point: 685.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.6±3.0 kJ/mol
Flash Point: 368.5±34.3 °C
Index of Refraction: 1.714
Molar Refractivity: 106.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 2.06
ACD/LogD (pH 5.5): 1.66
ACD/BCF (pH 5.5): 5.45
ACD/KOC (pH 5.5): 51.93
ACD/LogD (pH 7.4): -0.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 130 Å2
Polarizability: 42.0±0.5 10-24cm3
Surface Tension: 73.9±3.0 dyne/cm
Molar Volume: 270.4±3.0 cm3

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