1-(4-chloro-6-thiomorpholin-4-ylpyrimidin-5-yl)ethanol

C10H14ClN3OS — CID 164545527

IUPAC1-(4-chloro-6-thiomorpholin-4-ylpyrimidin-5-yl)ethanol
SMILESCC(O)c1c(Cl)ncnc1N1CCSCC1
InChIInChI=1S/C10H14ClN3OS/c1-7(15)8-9(11)12-6-13-10(8)14-2-4-16-5-3-14/h6-7,15H,2-5H2,1H3
InChIKeyLQNZNIVTJPMDME-UHFFFAOYSA-N
MW259.76 g/mol
LogP1.74
Rot. Bonds2

About 1-(4-chloro-6-thiomorpholin-4-ylpyrimidin-5-yl)ethanol

1-(4-chloro-6-thiomorpholin-4-ylpyrimidin-5-yl)ethanol (PubChem CID 164545527) has the molecular formula C10H14ClN3OS and a molecular weight of 259.76 g/mol. Its IUPAC name is 1-(4-chloro-6-thiomorpholin-4-ylpyrimidin-5-yl)ethanol.

Molecular Properties

Compound Name1-(4-chloro-6-thiomorpholin-4-ylpyrimidin-5-yl)ethanol
PubChem CID164545527
Molecular FormulaC10H14ClN3OS
Molecular Weight259.76 g/mol
Exact Mass259.05
IUPAC Name1-(4-chloro-6-thiomorpholin-4-ylpyrimidin-5-yl)ethanol
SMILESCC(O)c1c(Cl)ncnc1N1CCSCC1
InChIInChI=1S/C10H14ClN3OS/c1-7(15)8-9(11)12-6-13-10(8)14-2-4-16-5-3-14/h6-7,15H,2-5H2,1H3
InChIKeyLQNZNIVTJPMDME-UHFFFAOYSA-N
XLogP1.74
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.76
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-6-thiomorpholin-4-ylpyrimidin-5-yl)ethanol?
The IUPAC name of 1-(4-chloro-6-thiomorpholin-4-ylpyrimidin-5-yl)ethanol (CID 164545527) is 1-(4-chloro-6-thiomorpholin-4-ylpyrimidin-5-yl)ethanol.
What is the SMILES notation for 1-(4-chloro-6-thiomorpholin-4-ylpyrimidin-5-yl)ethanol?
The canonical SMILES for 1-(4-chloro-6-thiomorpholin-4-ylpyrimidin-5-yl)ethanol is CC(O)c1c(Cl)ncnc1N1CCSCC1.
What is the InChIKey of 1-(4-chloro-6-thiomorpholin-4-ylpyrimidin-5-yl)ethanol?
The InChIKey is LQNZNIVTJPMDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3OS/c1-7(15)8-9(11)12-6-13-10(8)14-2-4-16-5-3-14/h6-7,15H,2-5H2,1H3.
What are the key properties of 1-(4-chloro-6-thiomorpholin-4-ylpyrimidin-5-yl)ethanol?
1-(4-chloro-6-thiomorpholin-4-ylpyrimidin-5-yl)ethanol has a molecular weight of 259.76 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-6-thiomorpholin-4-ylpyrimidin-5-yl)ethanol is sourced from PubChem (CID 164545527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).