Methyl 4-[2-(2-amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoate
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Methyl 4-[2-(2-amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoate
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CAS No:
155405-80-4
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Formula:
C16H16N4O3
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Chemical Name:
Methyl 4-[2-(2-amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoate
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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
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CAS No:
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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Latest News on Methyl 4-[2-(2-amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoate
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Methyl 4-[2-(2-amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoate
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