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Home > Encyclopedia > Methyl 4-[2-(2-amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoate

Methyl 4-[2-(2-amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoate

Methyl 4-[2-(2-amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoate structure

Methyl 4-[2-(2-amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoate 

structure
  • CAS No:

    155405-80-4

  • Formula:

    C16H16N4O3

  • Chemical Name:

    Methyl 4-[2-(2-amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoate

  • Synonyms:

    Benzoic acid,4-[2-(2-amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]-,methyl ester;Benzoic acid,4-[2-(2-amino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]-,methyl ester;1H-Pyrrolo[2,3-d]pyrimidine,benzoic acid deriv.;Methyl 4-[2-(2-amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoate

  • Categories:

    Pharmaceutical Intermediates  >  Antineoplastics

Methyl 4-[2-(2-amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoate Basic Attributes

312.32

312.32

1806241-263-5

DTXSID30452316

2933990090

Characteristics

110

1.3

1.4±0.1 g/cm3

>220 °C

562.3°C at 760 mmHg

293.9ºC

1.692

1.14E-12mmHg at 25°C

Methyl 4-[2-(2-amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoate Use and Manufacturing

An intermediate in the preparation ofPemetrexed Disodium (P219500) and its derivatives as anticancer agents.

Computed Properties

Molecular Weight:312.32
XLogP3:1.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:312.12224039
Monoisotopic Mass:312.12224039
Topological Polar Surface Area:110
Heavy Atom Count:23
Complexity:500
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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