ChemSpider 2D Image | tert-butyl 2-amino-5H,6H,8H-pyrido[3,4-d]pyrimidine-7-carboxylate | C12H18N4O2

tert-butyl 2-amino-5H,6H,8H-pyrido[3,4-d]pyrimidine-7-carboxylate

  • Molecular FormulaC12H18N4O2
  • Average mass250.297 Da
  • Monoisotopic mass250.142975 Da
  • ChemSpider ID29577326

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

1395079-01-2 [RN]
2-Amino-5,8-dihydropyrido[3,4-d]pyrimidine-7(6H)-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl 2-amino-5,8-dihydropyrido[3,4-d]pyrimidine-7(6H)-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-2-amino-5,8-dihydropyrido[3,4-d]pyrimidin-7(6H)-carboxylat [German] [ACD/IUPAC Name]
Pyrido[3,4-d]pyrimidine-7(6H)-carboxylic acid, 2-amino-5,8-dihydro-, 1,1-dimethylethyl ester [ACD/Index Name]
tert-butyl 2-amino-5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-7-carboxylate
tert-butyl 2-amino-5H,6H,8H-pyrido[3,4-d]pyrimidine-7-carboxylate
2-amino-5,8-dihydro-6h-pyrido[3,4-d]pyrimidine-7-carboxylic acid tert-butyl ester
MFCD22565681
tert-Butyl 2-amino-5,6-dihydropyrido[3,4-d]pyrimidine-7(8H)-carboxylate
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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: 1.2±0.1 g/cm3
    Boiling Point: 443.7±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 70.1±3.0 kJ/mol
    Flash Point: 222.1±31.5 °C
    Index of Refraction: 1.576
    Molar Refractivity: 67.2±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.50
    ACD/LogD (pH 5.5): 1.31
    ACD/BCF (pH 5.5): 5.73
    ACD/KOC (pH 5.5): 118.99
    ACD/LogD (pH 7.4): 1.34
    ACD/BCF (pH 7.4): 6.13
    ACD/KOC (pH 7.4): 127.44
    Polar Surface Area: 81 Å2
    Polarizability: 26.7±0.5 10-24cm3
    Surface Tension: 57.7±3.0 dyne/cm
    Molar Volume: 203.2±3.0 cm3

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