5-(2,4-difluorophenoxy)-2-(methylsulfanylmethyl)-1H-pyrimidin-6-one

C12H10F2N2O2S — CID 134311331

IUPAC5-(2,4-difluorophenoxy)-2-(methylsulfanylmethyl)-1H-pyrimidin-6-one
SMILESCSCc1ncc(Oc2ccc(F)cc2F)c(=O)[nH]1
InChIInChI=1S/C12H10F2N2O2S/c1-19-6-11-15-5-10(12(17)16-11)18-9-3-2-7(13)4-8(9)14/h2-5H,6H2,1H3,(H,15,16,17)
InChIKeyYPPNWYXQMFNXLQ-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.70
Rot. Bonds4

About 5-(2,4-difluorophenoxy)-2-(methylsulfanylmethyl)-1H-pyrimidin-6-one

5-(2,4-difluorophenoxy)-2-(methylsulfanylmethyl)-1H-pyrimidin-6-one (PubChem CID 134311331) has the molecular formula C12H10F2N2O2S and a molecular weight of 284.29 g/mol. Its IUPAC name is 5-(2,4-difluorophenoxy)-2-(methylsulfanylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(2,4-difluorophenoxy)-2-(methylsulfanylmethyl)-1H-pyrimidin-6-one
PubChem CID134311331
Molecular FormulaC12H10F2N2O2S
Molecular Weight284.29 g/mol
Exact Mass284.04
IUPAC Name5-(2,4-difluorophenoxy)-2-(methylsulfanylmethyl)-1H-pyrimidin-6-one
SMILESCSCc1ncc(Oc2ccc(F)cc2F)c(=O)[nH]1
InChIInChI=1S/C12H10F2N2O2S/c1-19-6-11-15-5-10(12(17)16-11)18-9-3-2-7(13)4-8(9)14/h2-5H,6H2,1H3,(H,15,16,17)
InChIKeyYPPNWYXQMFNXLQ-UHFFFAOYSA-N
XLogP2.70
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenoxy)-2-(methylsulfanylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-(2,4-difluorophenoxy)-2-(methylsulfanylmethyl)-1H-pyrimidin-6-one (CID 134311331) is 5-(2,4-difluorophenoxy)-2-(methylsulfanylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(2,4-difluorophenoxy)-2-(methylsulfanylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(2,4-difluorophenoxy)-2-(methylsulfanylmethyl)-1H-pyrimidin-6-one is CSCc1ncc(Oc2ccc(F)cc2F)c(=O)[nH]1.
What is the InChIKey of 5-(2,4-difluorophenoxy)-2-(methylsulfanylmethyl)-1H-pyrimidin-6-one?
The InChIKey is YPPNWYXQMFNXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O2S/c1-19-6-11-15-5-10(12(17)16-11)18-9-3-2-7(13)4-8(9)14/h2-5H,6H2,1H3,(H,15,16,17).
What are the key properties of 5-(2,4-difluorophenoxy)-2-(methylsulfanylmethyl)-1H-pyrimidin-6-one?
5-(2,4-difluorophenoxy)-2-(methylsulfanylmethyl)-1H-pyrimidin-6-one has a molecular weight of 284.29 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenoxy)-2-(methylsulfanylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 134311331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).