2-(6-chloro-5-ethylpyrimidin-4-yl)sulfanylethanol

C8H11ClN2OS — CID 63733110

IUPAC2-(6-chloro-5-ethylpyrimidin-4-yl)sulfanylethanol
SMILESCCc1c(Cl)ncnc1SCCO
InChIInChI=1S/C8H11ClN2OS/c1-2-6-7(9)10-5-11-8(6)13-4-3-12/h5,12H,2-4H2,1H3
InChIKeyVOUACGIBMMYPGB-UHFFFAOYSA-N
MW218.71 g/mol
LogP1.78
Rot. Bonds4

About 2-(6-chloro-5-ethylpyrimidin-4-yl)sulfanylethanol

2-(6-chloro-5-ethylpyrimidin-4-yl)sulfanylethanol (PubChem CID 63733110) has the molecular formula C8H11ClN2OS and a molecular weight of 218.71 g/mol. Its IUPAC name is 2-(6-chloro-5-ethylpyrimidin-4-yl)sulfanylethanol.

Molecular Properties

Compound Name2-(6-chloro-5-ethylpyrimidin-4-yl)sulfanylethanol
PubChem CID63733110
Molecular FormulaC8H11ClN2OS
Molecular Weight218.71 g/mol
Exact Mass218.03
IUPAC Name2-(6-chloro-5-ethylpyrimidin-4-yl)sulfanylethanol
SMILESCCc1c(Cl)ncnc1SCCO
InChIInChI=1S/C8H11ClN2OS/c1-2-6-7(9)10-5-11-8(6)13-4-3-12/h5,12H,2-4H2,1H3
InChIKeyVOUACGIBMMYPGB-UHFFFAOYSA-N
XLogP1.78
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.71
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-5-ethylpyrimidin-4-yl)sulfanylethanol?
The IUPAC name of 2-(6-chloro-5-ethylpyrimidin-4-yl)sulfanylethanol (CID 63733110) is 2-(6-chloro-5-ethylpyrimidin-4-yl)sulfanylethanol.
What is the SMILES notation for 2-(6-chloro-5-ethylpyrimidin-4-yl)sulfanylethanol?
The canonical SMILES for 2-(6-chloro-5-ethylpyrimidin-4-yl)sulfanylethanol is CCc1c(Cl)ncnc1SCCO.
What is the InChIKey of 2-(6-chloro-5-ethylpyrimidin-4-yl)sulfanylethanol?
The InChIKey is VOUACGIBMMYPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2OS/c1-2-6-7(9)10-5-11-8(6)13-4-3-12/h5,12H,2-4H2,1H3.
What are the key properties of 2-(6-chloro-5-ethylpyrimidin-4-yl)sulfanylethanol?
2-(6-chloro-5-ethylpyrimidin-4-yl)sulfanylethanol has a molecular weight of 218.71 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-5-ethylpyrimidin-4-yl)sulfanylethanol is sourced from PubChem (CID 63733110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).