ChemSpider 2D Image | Ethyl 5-{2-[(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenoxy}pentanoate | C23H29N5O4

Ethyl 5-{2-[(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenoxy}pentanoate

  • Molecular FormulaC23H29N5O4
  • Average mass439.508 Da
  • Monoisotopic mass439.221954 Da
  • ChemSpider ID25060818

More details:

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

5-{2-[(2,4-Diamino-5-méthylpyrido[2,3-d]pyrimidin-6-yl)méthyl]-4-méthoxyphénoxy}pentanoate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-{2-[(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenoxy}pentanoate [ACD/IUPAC Name]
Ethyl-5-{2-[(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenoxy}pentanoat [German] [ACD/IUPAC Name]
Pentanoic acid, 5-[2-[(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)methyl]-4-methoxyphenoxy]-, ethyl ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 676.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.3±3.0 kJ/mol
Flash Point: 362.8±34.3 °C
Index of Refraction: 1.617
Molar Refractivity: 123.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 3.13
ACD/LogD (pH 5.5): 2.41
ACD/BCF (pH 5.5): 23.28
ACD/KOC (pH 5.5): 174.88
ACD/LogD (pH 7.4): 3.34
ACD/BCF (pH 7.4): 198.54
ACD/KOC (pH 7.4): 1491.36
Polar Surface Area: 135 Å2
Polarizability: 49.1±0.5 10-24cm3
Surface Tension: 56.5±3.0 dyne/cm
Molar Volume: 354.0±3.0 cm3

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