ChemSpider 2D Image | methyl 2-amino-4-(3-methoxyphenyl)pyrimidine-5-carboxylate | C13H13N3O3

methyl 2-amino-4-(3-methoxyphenyl)pyrimidine-5-carboxylate

  • Molecular FormulaC13H13N3O3
  • Average mass259.261 Da
  • Monoisotopic mass259.095703 Da
  • ChemSpider ID28294113

More details:

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

1187385-80-3 [RN]
2-Amino-4-(3-méthoxyphényl)-5-pyrimidinecarboxylate de méthyle [French] [ACD/IUPAC Name]
methyl 2-amino-4-(3-methoxyphenyl)pyrimidine-5-carboxylate
Methyl-2-amino-4-(3-methoxyphenyl)-5-pyrimidincarboxylat [German] [ACD/IUPAC Name]
[1187385-80-3] [RN]
5-Pyrimidinecarboxylic acid, 2-amino-4-(3-methoxyphenyl)-, methyl ester [ACD/Index Name]
HC-2327
Methyl 2-amino-4-(3-methoxyphenyl)-5-pyrimidinecarboxylate [ACD/IUPAC Name]
methyl-2-amino-4-(3-methoxyphenyl)pyrimidine-5-carboxylate
MFCD12756429

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

CCRIS 4693 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 497.7±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 76.6±3.0 kJ/mol
    Flash Point: 254.8±31.5 °C
    Index of Refraction: 1.594
    Molar Refractivity: 69.7±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.67
    ACD/LogD (pH 5.5): 1.88
    ACD/BCF (pH 5.5): 15.75
    ACD/KOC (pH 5.5): 250.41
    ACD/LogD (pH 7.4): 1.88
    ACD/BCF (pH 7.4): 15.76
    ACD/KOC (pH 7.4): 250.47
    Polar Surface Area: 87 Å2
    Polarizability: 27.6±0.5 10-24cm3
    Surface Tension: 53.9±3.0 dyne/cm
    Molar Volume: 205.3±3.0 cm3

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