[(2S,5R)-5-(4-aminothieno[3,4-d]pyrimidin-7-yl)-2,5-dihydrofuran-2-yl]methanol

C11H11N3O2S — CID 44592348

IUPAC[(2S,5R)-5-(4-aminothieno[3,4-d]pyrimidin-7-yl)-2,5-dihydrofuran-2-yl]methanol
SMILESNc1ncnc2c([C@H]3C=C[C@@H](CO)O3)scc12
InChIInChI=1S/C11H11N3O2S/c12-11-7-4-17-10(9(7)13-5-14-11)8-2-1-6(3-15)16-8/h1-2,4-6,8,15H,3H2,(H2,12,13,14)/t6-,8+/m0/s1
InChIKeyBDMFZQQKZAOZJV-POYBYMJQSA-N
MW249.30 g/mol
LogP1.26
Rot. Bonds2

About [(2S,5R)-5-(4-aminothieno[3,4-d]pyrimidin-7-yl)-2,5-dihydrofuran-2-yl]methanol

[(2S,5R)-5-(4-aminothieno[3,4-d]pyrimidin-7-yl)-2,5-dihydrofuran-2-yl]methanol (PubChem CID 44592348) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is [(2S,5R)-5-(4-aminothieno[3,4-d]pyrimidin-7-yl)-2,5-dihydrofuran-2-yl]methanol.

Molecular Properties

Compound Name[(2S,5R)-5-(4-aminothieno[3,4-d]pyrimidin-7-yl)-2,5-dihydrofuran-2-yl]methanol
PubChem CID44592348
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC Name[(2S,5R)-5-(4-aminothieno[3,4-d]pyrimidin-7-yl)-2,5-dihydrofuran-2-yl]methanol
SMILESNc1ncnc2c([C@H]3C=C[C@@H](CO)O3)scc12
InChIInChI=1S/C11H11N3O2S/c12-11-7-4-17-10(9(7)13-5-14-11)8-2-1-6(3-15)16-8/h1-2,4-6,8,15H,3H2,(H2,12,13,14)/t6-,8+/m0/s1
InChIKeyBDMFZQQKZAOZJV-POYBYMJQSA-N
XLogP1.26
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-(4-aminothieno[3,4-d]pyrimidin-7-yl)-2,5-dihydrofuran-2-yl]methanol?
The IUPAC name of [(2S,5R)-5-(4-aminothieno[3,4-d]pyrimidin-7-yl)-2,5-dihydrofuran-2-yl]methanol (CID 44592348) is [(2S,5R)-5-(4-aminothieno[3,4-d]pyrimidin-7-yl)-2,5-dihydrofuran-2-yl]methanol.
What is the SMILES notation for [(2S,5R)-5-(4-aminothieno[3,4-d]pyrimidin-7-yl)-2,5-dihydrofuran-2-yl]methanol?
The canonical SMILES for [(2S,5R)-5-(4-aminothieno[3,4-d]pyrimidin-7-yl)-2,5-dihydrofuran-2-yl]methanol is Nc1ncnc2c([C@H]3C=C[C@@H](CO)O3)scc12.
What is the InChIKey of [(2S,5R)-5-(4-aminothieno[3,4-d]pyrimidin-7-yl)-2,5-dihydrofuran-2-yl]methanol?
The InChIKey is BDMFZQQKZAOZJV-POYBYMJQSA-N. The full InChI is InChI=1S/C11H11N3O2S/c12-11-7-4-17-10(9(7)13-5-14-11)8-2-1-6(3-15)16-8/h1-2,4-6,8,15H,3H2,(H2,12,13,14)/t6-,8+/m0/s1.
What are the key properties of [(2S,5R)-5-(4-aminothieno[3,4-d]pyrimidin-7-yl)-2,5-dihydrofuran-2-yl]methanol?
[(2S,5R)-5-(4-aminothieno[3,4-d]pyrimidin-7-yl)-2,5-dihydrofuran-2-yl]methanol has a molecular weight of 249.30 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-5-(4-aminothieno[3,4-d]pyrimidin-7-yl)-2,5-dihydrofuran-2-yl]methanol is sourced from PubChem (CID 44592348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).