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

C7H9ClN2OS — CID 63732913

IUPAC2-(6-chloro-5-methylpyrimidin-4-yl)sulfanylethanol
SMILESCc1c(Cl)ncnc1SCCO
InChIInChI=1S/C7H9ClN2OS/c1-5-6(8)9-4-10-7(5)12-3-2-11/h4,11H,2-3H2,1H3
InChIKeyZDYYSPBBXWYDKN-UHFFFAOYSA-N
MW204.68 g/mol
LogP1.52
Rot. Bonds3

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

2-(6-chloro-5-methylpyrimidin-4-yl)sulfanylethanol (PubChem CID 63732913) has the molecular formula C7H9ClN2OS and a molecular weight of 204.68 g/mol. Its IUPAC name is 2-(6-chloro-5-methylpyrimidin-4-yl)sulfanylethanol.

Molecular Properties

Compound Name2-(6-chloro-5-methylpyrimidin-4-yl)sulfanylethanol
PubChem CID63732913
Molecular FormulaC7H9ClN2OS
Molecular Weight204.68 g/mol
Exact Mass204.01
IUPAC Name2-(6-chloro-5-methylpyrimidin-4-yl)sulfanylethanol
SMILESCc1c(Cl)ncnc1SCCO
InChIInChI=1S/C7H9ClN2OS/c1-5-6(8)9-4-10-7(5)12-3-2-11/h4,11H,2-3H2,1H3
InChIKeyZDYYSPBBXWYDKN-UHFFFAOYSA-N
XLogP1.52
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.68
LogP ≤ 51.52
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-methylpyrimidin-4-yl)sulfanylethanol?
The IUPAC name of 2-(6-chloro-5-methylpyrimidin-4-yl)sulfanylethanol (CID 63732913) is 2-(6-chloro-5-methylpyrimidin-4-yl)sulfanylethanol.
What is the SMILES notation for 2-(6-chloro-5-methylpyrimidin-4-yl)sulfanylethanol?
The canonical SMILES for 2-(6-chloro-5-methylpyrimidin-4-yl)sulfanylethanol is Cc1c(Cl)ncnc1SCCO.
What is the InChIKey of 2-(6-chloro-5-methylpyrimidin-4-yl)sulfanylethanol?
The InChIKey is ZDYYSPBBXWYDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2OS/c1-5-6(8)9-4-10-7(5)12-3-2-11/h4,11H,2-3H2,1H3.
What are the key properties of 2-(6-chloro-5-methylpyrimidin-4-yl)sulfanylethanol?
2-(6-chloro-5-methylpyrimidin-4-yl)sulfanylethanol has a molecular weight of 204.68 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-5-methylpyrimidin-4-yl)sulfanylethanol is sourced from PubChem (CID 63732913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).