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

C11H13N3O2S — CID 42636957

IUPAC[(2S,5R)-5-(4-aminothieno[3,4-d]pyrimidin-7-yl)oxolan-2-yl]methanol
SMILESNc1ncnc2c([C@H]3CC[C@@H](CO)O3)scc12
InChIInChI=1S/C11H13N3O2S/c12-11-7-4-17-10(9(7)13-5-14-11)8-2-1-6(3-15)16-8/h4-6,8,15H,1-3H2,(H2,12,13,14)/t6-,8+/m0/s1
InChIKeyZLDIWDJNUCZNGD-POYBYMJQSA-N
MW251.31 g/mol
LogP1.49
Rot. Bonds2

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

[(2S,5R)-5-(4-aminothieno[3,4-d]pyrimidin-7-yl)oxolan-2-yl]methanol (PubChem CID 42636957) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is [(2S,5R)-5-(4-aminothieno[3,4-d]pyrimidin-7-yl)oxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,5R)-5-(4-aminothieno[3,4-d]pyrimidin-7-yl)oxolan-2-yl]methanol
PubChem CID42636957
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name[(2S,5R)-5-(4-aminothieno[3,4-d]pyrimidin-7-yl)oxolan-2-yl]methanol
SMILESNc1ncnc2c([C@H]3CC[C@@H](CO)O3)scc12
InChIInChI=1S/C11H13N3O2S/c12-11-7-4-17-10(9(7)13-5-14-11)8-2-1-6(3-15)16-8/h4-6,8,15H,1-3H2,(H2,12,13,14)/t6-,8+/m0/s1
InChIKeyZLDIWDJNUCZNGD-POYBYMJQSA-N
XLogP1.49
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-(4-aminothieno[3,4-d]pyrimidin-7-yl)oxolan-2-yl]methanol?
The IUPAC name of [(2S,5R)-5-(4-aminothieno[3,4-d]pyrimidin-7-yl)oxolan-2-yl]methanol (CID 42636957) is [(2S,5R)-5-(4-aminothieno[3,4-d]pyrimidin-7-yl)oxolan-2-yl]methanol.
What is the SMILES notation for [(2S,5R)-5-(4-aminothieno[3,4-d]pyrimidin-7-yl)oxolan-2-yl]methanol?
The canonical SMILES for [(2S,5R)-5-(4-aminothieno[3,4-d]pyrimidin-7-yl)oxolan-2-yl]methanol is Nc1ncnc2c([C@H]3CC[C@@H](CO)O3)scc12.
What is the InChIKey of [(2S,5R)-5-(4-aminothieno[3,4-d]pyrimidin-7-yl)oxolan-2-yl]methanol?
The InChIKey is ZLDIWDJNUCZNGD-POYBYMJQSA-N. The full InChI is InChI=1S/C11H13N3O2S/c12-11-7-4-17-10(9(7)13-5-14-11)8-2-1-6(3-15)16-8/h4-6,8,15H,1-3H2,(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)oxolan-2-yl]methanol?
[(2S,5R)-5-(4-aminothieno[3,4-d]pyrimidin-7-yl)oxolan-2-yl]methanol has a molecular weight of 251.31 g/mol, XLogP of 1.49, 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)oxolan-2-yl]methanol is sourced from PubChem (CID 42636957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).