2-[(2-fluorophenyl)sulfanylmethyl]-4-hydroxy-5-iodo-1H-pyrimidin-6-one

C11H8FIN2O2S — CID 66287172

IUPAC2-[(2-fluorophenyl)sulfanylmethyl]-4-hydroxy-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]c(CSc2ccccc2F)nc(O)c1I
InChIInChI=1S/C11H8FIN2O2S/c12-6-3-1-2-4-7(6)18-5-8-14-10(16)9(13)11(17)15-8/h1-4H,5H2,(H2,14,15,16,17)
InChIKeyOSVHDCAHCSQZEF-UHFFFAOYSA-N
MW378.17 g/mol
LogP2.51
Rot. Bonds3

About 2-[(2-fluorophenyl)sulfanylmethyl]-4-hydroxy-5-iodo-1H-pyrimidin-6-one

2-[(2-fluorophenyl)sulfanylmethyl]-4-hydroxy-5-iodo-1H-pyrimidin-6-one (PubChem CID 66287172) has the molecular formula C11H8FIN2O2S and a molecular weight of 378.17 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)sulfanylmethyl]-4-hydroxy-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2-fluorophenyl)sulfanylmethyl]-4-hydroxy-5-iodo-1H-pyrimidin-6-one
PubChem CID66287172
Molecular FormulaC11H8FIN2O2S
Molecular Weight378.17 g/mol
Exact Mass377.93
IUPAC Name2-[(2-fluorophenyl)sulfanylmethyl]-4-hydroxy-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]c(CSc2ccccc2F)nc(O)c1I
InChIInChI=1S/C11H8FIN2O2S/c12-6-3-1-2-4-7(6)18-5-8-14-10(16)9(13)11(17)15-8/h1-4H,5H2,(H2,14,15,16,17)
InChIKeyOSVHDCAHCSQZEF-UHFFFAOYSA-N
XLogP2.51
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.17
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

CID 135454597
CID 135454597
CID 66051306
CID 66051306
CID 66051307
CID 66051307
CID 66051308
CID 66051308
CID 66051499
CID 66051499
CID 66051500
CID 66051500
CID 66053623
CID 66053623
CID 66070796
CID 66070796
CID 66071418
CID 66071418
CID 66071419
CID 66071419
CID 66071622
CID 66071622
CID 66071623
CID 66071623

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)sulfanylmethyl]-4-hydroxy-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2-fluorophenyl)sulfanylmethyl]-4-hydroxy-5-iodo-1H-pyrimidin-6-one (CID 66287172) is 2-[(2-fluorophenyl)sulfanylmethyl]-4-hydroxy-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2-fluorophenyl)sulfanylmethyl]-4-hydroxy-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2-fluorophenyl)sulfanylmethyl]-4-hydroxy-5-iodo-1H-pyrimidin-6-one is O=c1[nH]c(CSc2ccccc2F)nc(O)c1I.
What is the InChIKey of 2-[(2-fluorophenyl)sulfanylmethyl]-4-hydroxy-5-iodo-1H-pyrimidin-6-one?
The InChIKey is OSVHDCAHCSQZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FIN2O2S/c12-6-3-1-2-4-7(6)18-5-8-14-10(16)9(13)11(17)15-8/h1-4H,5H2,(H2,14,15,16,17).
What are the key properties of 2-[(2-fluorophenyl)sulfanylmethyl]-4-hydroxy-5-iodo-1H-pyrimidin-6-one?
2-[(2-fluorophenyl)sulfanylmethyl]-4-hydroxy-5-iodo-1H-pyrimidin-6-one has a molecular weight of 378.17 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)sulfanylmethyl]-4-hydroxy-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 66287172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).