5-(3-fluorophenyl)-4-hydroxy-2-(1,4-oxathian-2-yl)-1H-pyrimidin-6-one

C14H13FN2O3S — CID 79961663

IUPAC5-(3-fluorophenyl)-4-hydroxy-2-(1,4-oxathian-2-yl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(C2CSCCO2)nc(O)c1-c1cccc(F)c1
InChIInChI=1S/C14H13FN2O3S/c15-9-3-1-2-8(6-9)11-13(18)16-12(17-14(11)19)10-7-21-5-4-20-10/h1-3,6,10H,4-5,7H2,(H2,16,17,18,19)
InChIKeyFBFFGJJSXTYXDI-UHFFFAOYSA-N
MW308.33 g/mol
LogP2.09
Rot. Bonds2

About 5-(3-fluorophenyl)-4-hydroxy-2-(1,4-oxathian-2-yl)-1H-pyrimidin-6-one

5-(3-fluorophenyl)-4-hydroxy-2-(1,4-oxathian-2-yl)-1H-pyrimidin-6-one (PubChem CID 79961663) has the molecular formula C14H13FN2O3S and a molecular weight of 308.33 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-4-hydroxy-2-(1,4-oxathian-2-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(3-fluorophenyl)-4-hydroxy-2-(1,4-oxathian-2-yl)-1H-pyrimidin-6-one
PubChem CID79961663
Molecular FormulaC14H13FN2O3S
Molecular Weight308.33 g/mol
Exact Mass308.06
IUPAC Name5-(3-fluorophenyl)-4-hydroxy-2-(1,4-oxathian-2-yl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(C2CSCCO2)nc(O)c1-c1cccc(F)c1
InChIInChI=1S/C14H13FN2O3S/c15-9-3-1-2-8(6-9)11-13(18)16-12(17-14(11)19)10-7-21-5-4-20-10/h1-3,6,10H,4-5,7H2,(H2,16,17,18,19)
InChIKeyFBFFGJJSXTYXDI-UHFFFAOYSA-N
XLogP2.09
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-4-hydroxy-2-(1,4-oxathian-2-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-(3-fluorophenyl)-4-hydroxy-2-(1,4-oxathian-2-yl)-1H-pyrimidin-6-one (CID 79961663) is 5-(3-fluorophenyl)-4-hydroxy-2-(1,4-oxathian-2-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(3-fluorophenyl)-4-hydroxy-2-(1,4-oxathian-2-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(3-fluorophenyl)-4-hydroxy-2-(1,4-oxathian-2-yl)-1H-pyrimidin-6-one is O=c1[nH]c(C2CSCCO2)nc(O)c1-c1cccc(F)c1.
What is the InChIKey of 5-(3-fluorophenyl)-4-hydroxy-2-(1,4-oxathian-2-yl)-1H-pyrimidin-6-one?
The InChIKey is FBFFGJJSXTYXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O3S/c15-9-3-1-2-8(6-9)11-13(18)16-12(17-14(11)19)10-7-21-5-4-20-10/h1-3,6,10H,4-5,7H2,(H2,16,17,18,19).
What are the key properties of 5-(3-fluorophenyl)-4-hydroxy-2-(1,4-oxathian-2-yl)-1H-pyrimidin-6-one?
5-(3-fluorophenyl)-4-hydroxy-2-(1,4-oxathian-2-yl)-1H-pyrimidin-6-one has a molecular weight of 308.33 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-4-hydroxy-2-(1,4-oxathian-2-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 79961663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).