2-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanylethanol

C8H11FN2OS — CID 103879710

IUPAC2-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanylethanol
SMILESCCc1ncnc(SCCO)c1F
InChIInChI=1S/C8H11FN2OS/c1-2-6-7(9)8(11-5-10-6)13-4-3-12/h5,12H,2-4H2,1H3
InChIKeyVXVJCGVCVXWGSB-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.26
Rot. Bonds4

About 2-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanylethanol

2-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanylethanol (PubChem CID 103879710) has the molecular formula C8H11FN2OS and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanylethanol.

Molecular Properties

Compound Name2-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanylethanol
PubChem CID103879710
Molecular FormulaC8H11FN2OS
Molecular Weight202.25 g/mol
Exact Mass202.06
IUPAC Name2-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanylethanol
SMILESCCc1ncnc(SCCO)c1F
InChIInChI=1S/C8H11FN2OS/c1-2-6-7(9)8(11-5-10-6)13-4-3-12/h5,12H,2-4H2,1H3
InChIKeyVXVJCGVCVXWGSB-UHFFFAOYSA-N
XLogP1.26
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 84593440
CID 103634671
CID 103634671
CID 103704564
CID 103704564
CID 103704746
CID 103704746
CID 103705219
CID 103705219
CID 103730045
CID 103730045
CID 103736624
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CID 103880161
CID 103880161

Frequently Asked Questions

What is the IUPAC name of 2-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanylethanol?
The IUPAC name of 2-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanylethanol (CID 103879710) is 2-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanylethanol.
What is the SMILES notation for 2-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanylethanol?
The canonical SMILES for 2-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanylethanol is CCc1ncnc(SCCO)c1F.
What is the InChIKey of 2-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanylethanol?
The InChIKey is VXVJCGVCVXWGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2OS/c1-2-6-7(9)8(11-5-10-6)13-4-3-12/h5,12H,2-4H2,1H3.
What are the key properties of 2-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanylethanol?
2-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanylethanol has a molecular weight of 202.25 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethyl-5-fluoropyrimidin-4-yl)sulfanylethanol is sourced from PubChem (CID 103879710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).