3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one

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3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one structure
Structural Feature
Pyrrolopyrimidine scaffold
Reactive Feature
Lactam
Synthesis Role
Heteroaryl drug building block
Application Context
Pharmaceutical intermediate
CAS Number3680-71-5
Molecular FormulaC6H5N3O
Molecular Weight135.12 g/mol
AppearanceWhite to off-white solid
Melting Point345-348 °C
SMILESO=c1[nH]cnc2[nH]ccc12
InChIKeyFBMZEITWVNHWJW-UHFFFAOYSA-N
Description4-Hydroxypyrrolo[2,3-d]pyrimidine, a purine base bioisostere. The 4-hydroxyl (lactam) can condense with amines for glycosidic bond formation in nucleoside antiviral synthesis.
ApplicationsPharmaceutical intermediate; pyrrolopyrimidine; nucleoside intermediate

Calculated / Predicted Properties

Estimated Boiling Point473.1 °C (predicted)
Estimated Density1.62 g/cm³ (predicted)