[5-(4-aminothieno[3,4-d]pyrimidin-7-yl)-4-fluoro-4-methyloxolan-2-yl]methanol

C12H14FN3O2S — CID 91054862

IUPAC[5-(4-aminothieno[3,4-d]pyrimidin-7-yl)-4-fluoro-4-methyloxolan-2-yl]methanol
SMILESCC1(F)CC(CO)OC1c1scc2c(N)ncnc12
InChIInChI=1S/C12H14FN3O2S/c1-12(13)2-6(3-17)18-10(12)9-8-7(4-19-9)11(14)16-5-15-8/h4-6,10,17H,2-3H2,1H3,(H2,14,15,16)
InChIKeyOPKFZCBILLNAIH-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.82
Rot. Bonds2

About [5-(4-aminothieno[3,4-d]pyrimidin-7-yl)-4-fluoro-4-methyloxolan-2-yl]methanol

[5-(4-aminothieno[3,4-d]pyrimidin-7-yl)-4-fluoro-4-methyloxolan-2-yl]methanol (PubChem CID 91054862) has the molecular formula C12H14FN3O2S and a molecular weight of 283.33 g/mol. Its IUPAC name is [5-(4-aminothieno[3,4-d]pyrimidin-7-yl)-4-fluoro-4-methyloxolan-2-yl]methanol.

Molecular Properties

Compound Name[5-(4-aminothieno[3,4-d]pyrimidin-7-yl)-4-fluoro-4-methyloxolan-2-yl]methanol
PubChem CID91054862
Molecular FormulaC12H14FN3O2S
Molecular Weight283.33 g/mol
Exact Mass283.08
IUPAC Name[5-(4-aminothieno[3,4-d]pyrimidin-7-yl)-4-fluoro-4-methyloxolan-2-yl]methanol
SMILESCC1(F)CC(CO)OC1c1scc2c(N)ncnc12
InChIInChI=1S/C12H14FN3O2S/c1-12(13)2-6(3-17)18-10(12)9-8-7(4-19-9)11(14)16-5-15-8/h4-6,10,17H,2-3H2,1H3,(H2,14,15,16)
InChIKeyOPKFZCBILLNAIH-UHFFFAOYSA-N
XLogP1.82
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(4-aminothieno[3,4-d]pyrimidin-7-yl)-4-fluoro-4-methyloxolan-2-yl]methanol?
The IUPAC name of [5-(4-aminothieno[3,4-d]pyrimidin-7-yl)-4-fluoro-4-methyloxolan-2-yl]methanol (CID 91054862) is [5-(4-aminothieno[3,4-d]pyrimidin-7-yl)-4-fluoro-4-methyloxolan-2-yl]methanol.
What is the SMILES notation for [5-(4-aminothieno[3,4-d]pyrimidin-7-yl)-4-fluoro-4-methyloxolan-2-yl]methanol?
The canonical SMILES for [5-(4-aminothieno[3,4-d]pyrimidin-7-yl)-4-fluoro-4-methyloxolan-2-yl]methanol is CC1(F)CC(CO)OC1c1scc2c(N)ncnc12.
What is the InChIKey of [5-(4-aminothieno[3,4-d]pyrimidin-7-yl)-4-fluoro-4-methyloxolan-2-yl]methanol?
The InChIKey is OPKFZCBILLNAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O2S/c1-12(13)2-6(3-17)18-10(12)9-8-7(4-19-9)11(14)16-5-15-8/h4-6,10,17H,2-3H2,1H3,(H2,14,15,16).
What are the key properties of [5-(4-aminothieno[3,4-d]pyrimidin-7-yl)-4-fluoro-4-methyloxolan-2-yl]methanol?
[5-(4-aminothieno[3,4-d]pyrimidin-7-yl)-4-fluoro-4-methyloxolan-2-yl]methanol has a molecular weight of 283.33 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-aminothieno[3,4-d]pyrimidin-7-yl)-4-fluoro-4-methyloxolan-2-yl]methanol is sourced from PubChem (CID 91054862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).