1-(5-pyrimidin-4-ylsulfanyl-2-pyridinyl)ethanol

C11H11N3OS — CID 83128819

IUPAC1-(5-pyrimidin-4-ylsulfanyl-2-pyridinyl)ethanol
SMILESCC(O)c1ccc(Sc2ccncn2)cn1
InChIInChI=1S/C11H11N3OS/c1-8(15)10-3-2-9(6-13-10)16-11-4-5-12-7-14-11/h2-8,15H,1H3
InChIKeyLRVWBIHVTDMKMT-UHFFFAOYSA-N
MW233.30 g/mol
LogP2.08
Rot. Bonds3

About 1-(5-pyrimidin-4-ylsulfanyl-2-pyridinyl)ethanol

1-(5-pyrimidin-4-ylsulfanyl-2-pyridinyl)ethanol (PubChem CID 83128819) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is 1-(5-pyrimidin-4-ylsulfanyl-2-pyridinyl)ethanol.

Molecular Properties

Compound Name1-(5-pyrimidin-4-ylsulfanyl-2-pyridinyl)ethanol
PubChem CID83128819
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC Name1-(5-pyrimidin-4-ylsulfanyl-2-pyridinyl)ethanol
SMILESCC(O)c1ccc(Sc2ccncn2)cn1
InChIInChI=1S/C11H11N3OS/c1-8(15)10-3-2-9(6-13-10)16-11-4-5-12-7-14-11/h2-8,15H,1H3
InChIKeyLRVWBIHVTDMKMT-UHFFFAOYSA-N
XLogP2.08
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-pyrimidin-4-ylsulfanyl-2-pyridinyl)ethanol?
The IUPAC name of 1-(5-pyrimidin-4-ylsulfanyl-2-pyridinyl)ethanol (CID 83128819) is 1-(5-pyrimidin-4-ylsulfanyl-2-pyridinyl)ethanol.
What is the SMILES notation for 1-(5-pyrimidin-4-ylsulfanyl-2-pyridinyl)ethanol?
The canonical SMILES for 1-(5-pyrimidin-4-ylsulfanyl-2-pyridinyl)ethanol is CC(O)c1ccc(Sc2ccncn2)cn1.
What is the InChIKey of 1-(5-pyrimidin-4-ylsulfanyl-2-pyridinyl)ethanol?
The InChIKey is LRVWBIHVTDMKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c1-8(15)10-3-2-9(6-13-10)16-11-4-5-12-7-14-11/h2-8,15H,1H3.
What are the key properties of 1-(5-pyrimidin-4-ylsulfanyl-2-pyridinyl)ethanol?
1-(5-pyrimidin-4-ylsulfanyl-2-pyridinyl)ethanol has a molecular weight of 233.30 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-pyrimidin-4-ylsulfanyl-2-pyridinyl)ethanol is sourced from PubChem (CID 83128819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).