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

C14H18FN3O3S — CID 91509180

IUPAC5-(4-aminothieno[3,4-d]pyrimidin-7-yl)-4-ethyl-4-fluoro-2-(hydroxymethyl)-5-methyloxolan-3-ol
SMILESCCC1(F)C(O)C(CO)OC1(C)c1scc2c(N)ncnc12
InChIInChI=1S/C14H18FN3O3S/c1-3-14(15)10(20)8(4-19)21-13(14,2)11-9-7(5-22-11)12(16)18-6-17-9/h5-6,8,10,19-20H,3-4H2,1-2H3,(H2,16,17,18)
InChIKeyLMZZPAMFZOYIRU-UHFFFAOYSA-N
MW327.38 g/mol
LogP1.36
Rot. Bonds3

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

5-(4-aminothieno[3,4-d]pyrimidin-7-yl)-4-ethyl-4-fluoro-2-(hydroxymethyl)-5-methyloxolan-3-ol (PubChem CID 91509180) has the molecular formula C14H18FN3O3S and a molecular weight of 327.38 g/mol. Its IUPAC name is 5-(4-aminothieno[3,4-d]pyrimidin-7-yl)-4-ethyl-4-fluoro-2-(hydroxymethyl)-5-methyloxolan-3-ol.

Molecular Properties

Compound Name5-(4-aminothieno[3,4-d]pyrimidin-7-yl)-4-ethyl-4-fluoro-2-(hydroxymethyl)-5-methyloxolan-3-ol
PubChem CID91509180
Molecular FormulaC14H18FN3O3S
Molecular Weight327.38 g/mol
Exact Mass327.11
IUPAC Name5-(4-aminothieno[3,4-d]pyrimidin-7-yl)-4-ethyl-4-fluoro-2-(hydroxymethyl)-5-methyloxolan-3-ol
SMILESCCC1(F)C(O)C(CO)OC1(C)c1scc2c(N)ncnc12
InChIInChI=1S/C14H18FN3O3S/c1-3-14(15)10(20)8(4-19)21-13(14,2)11-9-7(5-22-11)12(16)18-6-17-9/h5-6,8,10,19-20H,3-4H2,1-2H3,(H2,16,17,18)
InChIKeyLMZZPAMFZOYIRU-UHFFFAOYSA-N
XLogP1.36
TPSA101.49 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-aminothieno[3,4-d]pyrimidin-7-yl)-4-ethyl-4-fluoro-2-(hydroxymethyl)-5-methyloxolan-3-ol?
The IUPAC name of 5-(4-aminothieno[3,4-d]pyrimidin-7-yl)-4-ethyl-4-fluoro-2-(hydroxymethyl)-5-methyloxolan-3-ol (CID 91509180) is 5-(4-aminothieno[3,4-d]pyrimidin-7-yl)-4-ethyl-4-fluoro-2-(hydroxymethyl)-5-methyloxolan-3-ol.
What is the SMILES notation for 5-(4-aminothieno[3,4-d]pyrimidin-7-yl)-4-ethyl-4-fluoro-2-(hydroxymethyl)-5-methyloxolan-3-ol?
The canonical SMILES for 5-(4-aminothieno[3,4-d]pyrimidin-7-yl)-4-ethyl-4-fluoro-2-(hydroxymethyl)-5-methyloxolan-3-ol is CCC1(F)C(O)C(CO)OC1(C)c1scc2c(N)ncnc12.
What is the InChIKey of 5-(4-aminothieno[3,4-d]pyrimidin-7-yl)-4-ethyl-4-fluoro-2-(hydroxymethyl)-5-methyloxolan-3-ol?
The InChIKey is LMZZPAMFZOYIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O3S/c1-3-14(15)10(20)8(4-19)21-13(14,2)11-9-7(5-22-11)12(16)18-6-17-9/h5-6,8,10,19-20H,3-4H2,1-2H3,(H2,16,17,18).
What are the key properties of 5-(4-aminothieno[3,4-d]pyrimidin-7-yl)-4-ethyl-4-fluoro-2-(hydroxymethyl)-5-methyloxolan-3-ol?
5-(4-aminothieno[3,4-d]pyrimidin-7-yl)-4-ethyl-4-fluoro-2-(hydroxymethyl)-5-methyloxolan-3-ol has a molecular weight of 327.38 g/mol, XLogP of 1.36, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminothieno[3,4-d]pyrimidin-7-yl)-4-ethyl-4-fluoro-2-(hydroxymethyl)-5-methyloxolan-3-ol is sourced from PubChem (CID 91509180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).