4-Chloro-5-((tetrahydrofuran-2-yl)methyl)-5H-pyrrolo[3,2-d]pyrimidine

HCID 73554651

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 871024-48-5
Standard SMILES: Clc1ncnc2ccn(CC3CCCO3)c12
InChIKey: UHVCVDALCUSVLK-UHFFFAOYSA-N
Molecular formula: C11H12ClN3O
Average molar mass: 237.68 g/mol
Monoisotopic mass: 237.06688968

Names & identifiers

Preferred name: 4-Chloro-5-((tetrahydrofuran-2-yl)methyl)-5H-pyrrolo[3,2-d]pyrimidine
IUPAC: 4-chloro-5-(oxolan-2-ylmethyl)pyrrolo[3,2-d]pyrimidine

Names & synonyms

871024-48-54-Chloro-5-((tetrahydrofuran-2-yl)methyl)-5H-pyrrolo[3,2-d]pyrimidine4-chloro-5-[(oxolan-2-yl)methyl]-5H-pyrrolo[3,2-d]pyrimidineSCHEMBL2748705UHVCVDALCUSVLK-UHFFFAOYSA-NDTXSID7011556954-CHLORO-5-(OXOLAN-2-YLMETHYL)PYRROLO[3,2-D]PYRIMIDINE4-chloro-5-(tetrahydrofuran-2-ylmethyl)-5H -pyrrolo[3,2-d]pyrimidine4-chloro-5-(tetrahydrofuran-2-ylmethyl)-5H-pyrrolo[3,2-d]pyrimidine4-Chloro-5-[(tetrahydro-2-furanyl)methyl]-5H-pyrrolo[3,2-d]pyrimidine

Database identifiers

CAS: 871024-48-5
PubChem CID: 73554651
DTXSID: DTXSID701155695

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 39.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 253

Related reactions

3 records

New reaction record

HRID 177460As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 1786903As productuspto-grants-2009_03

HRID 1925990As productuspto-grants-2012_05

Compound notes

Loading…