5-(2-hydroxyethoxy)-1H-pyrimidine-2-thione

C6H8N2O2S — CID 117230633

IUPAC5-(2-hydroxyethoxy)-1H-pyrimidine-2-thione
SMILESOCCOc1cnc(=S)[nH]c1
InChIInChI=1S/C6H8N2O2S/c9-1-2-10-5-3-7-6(11)8-4-5/h3-4,9H,1-2H2,(H,7,8,11)
InChIKeyIHUXGTZEVLODAF-UHFFFAOYSA-N
MW172.21 g/mol
LogP0.51
Rot. Bonds3

About 5-(2-hydroxyethoxy)-1H-pyrimidine-2-thione

5-(2-hydroxyethoxy)-1H-pyrimidine-2-thione (PubChem CID 117230633) has the molecular formula C6H8N2O2S and a molecular weight of 172.21 g/mol. Its IUPAC name is 5-(2-hydroxyethoxy)-1H-pyrimidine-2-thione.

Molecular Properties

Compound Name5-(2-hydroxyethoxy)-1H-pyrimidine-2-thione
PubChem CID117230633
Molecular FormulaC6H8N2O2S
Molecular Weight172.21 g/mol
Exact Mass172.03
IUPAC Name5-(2-hydroxyethoxy)-1H-pyrimidine-2-thione
SMILESOCCOc1cnc(=S)[nH]c1
InChIInChI=1S/C6H8N2O2S/c9-1-2-10-5-3-7-6(11)8-4-5/h3-4,9H,1-2H2,(H,7,8,11)
InChIKeyIHUXGTZEVLODAF-UHFFFAOYSA-N
XLogP0.51
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethoxy)-1H-pyrimidine-2-thione?
The IUPAC name of 5-(2-hydroxyethoxy)-1H-pyrimidine-2-thione (CID 117230633) is 5-(2-hydroxyethoxy)-1H-pyrimidine-2-thione.
What is the SMILES notation for 5-(2-hydroxyethoxy)-1H-pyrimidine-2-thione?
The canonical SMILES for 5-(2-hydroxyethoxy)-1H-pyrimidine-2-thione is OCCOc1cnc(=S)[nH]c1.
What is the InChIKey of 5-(2-hydroxyethoxy)-1H-pyrimidine-2-thione?
The InChIKey is IHUXGTZEVLODAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2S/c9-1-2-10-5-3-7-6(11)8-4-5/h3-4,9H,1-2H2,(H,7,8,11).
What are the key properties of 5-(2-hydroxyethoxy)-1H-pyrimidine-2-thione?
5-(2-hydroxyethoxy)-1H-pyrimidine-2-thione has a molecular weight of 172.21 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethoxy)-1H-pyrimidine-2-thione is sourced from PubChem (CID 117230633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).