1-(5-fluoropyrimidin-2-yl)-2-pyrimidin-2-ylsulfanylethanol

C10H9FN4OS — CID 134553135

IUPAC1-(5-fluoropyrimidin-2-yl)-2-pyrimidin-2-ylsulfanylethanol
SMILESOC(CSc1ncccn1)c1ncc(F)cn1
InChIInChI=1S/C10H9FN4OS/c11-7-4-14-9(15-5-7)8(16)6-17-10-12-2-1-3-13-10/h1-5,8,16H,6H2
InChIKeyVCULGHJNDZZOHX-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.23
Rot. Bonds4

About 1-(5-fluoropyrimidin-2-yl)-2-pyrimidin-2-ylsulfanylethanol

1-(5-fluoropyrimidin-2-yl)-2-pyrimidin-2-ylsulfanylethanol (PubChem CID 134553135) has the molecular formula C10H9FN4OS and a molecular weight of 252.27 g/mol. Its IUPAC name is 1-(5-fluoropyrimidin-2-yl)-2-pyrimidin-2-ylsulfanylethanol.

Molecular Properties

Compound Name1-(5-fluoropyrimidin-2-yl)-2-pyrimidin-2-ylsulfanylethanol
PubChem CID134553135
Molecular FormulaC10H9FN4OS
Molecular Weight252.27 g/mol
Exact Mass252.05
IUPAC Name1-(5-fluoropyrimidin-2-yl)-2-pyrimidin-2-ylsulfanylethanol
SMILESOC(CSc1ncccn1)c1ncc(F)cn1
InChIInChI=1S/C10H9FN4OS/c11-7-4-14-9(15-5-7)8(16)6-17-10-12-2-1-3-13-10/h1-5,8,16H,6H2
InChIKeyVCULGHJNDZZOHX-UHFFFAOYSA-N
XLogP1.23
TPSA71.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoropyrimidin-2-yl)-2-pyrimidin-2-ylsulfanylethanol?
The IUPAC name of 1-(5-fluoropyrimidin-2-yl)-2-pyrimidin-2-ylsulfanylethanol (CID 134553135) is 1-(5-fluoropyrimidin-2-yl)-2-pyrimidin-2-ylsulfanylethanol.
What is the SMILES notation for 1-(5-fluoropyrimidin-2-yl)-2-pyrimidin-2-ylsulfanylethanol?
The canonical SMILES for 1-(5-fluoropyrimidin-2-yl)-2-pyrimidin-2-ylsulfanylethanol is OC(CSc1ncccn1)c1ncc(F)cn1.
What is the InChIKey of 1-(5-fluoropyrimidin-2-yl)-2-pyrimidin-2-ylsulfanylethanol?
The InChIKey is VCULGHJNDZZOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4OS/c11-7-4-14-9(15-5-7)8(16)6-17-10-12-2-1-3-13-10/h1-5,8,16H,6H2.
What are the key properties of 1-(5-fluoropyrimidin-2-yl)-2-pyrimidin-2-ylsulfanylethanol?
1-(5-fluoropyrimidin-2-yl)-2-pyrimidin-2-ylsulfanylethanol has a molecular weight of 252.27 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoropyrimidin-2-yl)-2-pyrimidin-2-ylsulfanylethanol is sourced from PubChem (CID 134553135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).