2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)ethanol

C6H12N2OS — CID 130854946

IUPAC2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)ethanol
SMILESOCCSC1=NCCCN1
InChIInChI=1S/C6H12N2OS/c9-4-5-10-6-7-2-1-3-8-6/h9H,1-5H2,(H,7,8)
InChIKeyMYXGNARUMOIBTJ-UHFFFAOYSA-N
MW160.24 g/mol
LogP0.06
Rot. Bonds2

About 2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)ethanol

2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)ethanol (PubChem CID 130854946) has the molecular formula C6H12N2OS and a molecular weight of 160.24 g/mol. Its IUPAC name is 2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)ethanol.

Molecular Properties

Compound Name2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)ethanol
PubChem CID130854946
Molecular FormulaC6H12N2OS
Molecular Weight160.24 g/mol
Exact Mass160.07
IUPAC Name2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)ethanol
SMILESOCCSC1=NCCCN1
InChIInChI=1S/C6H12N2OS/c9-4-5-10-6-7-2-1-3-8-6/h9H,1-5H2,(H,7,8)
InChIKeyMYXGNARUMOIBTJ-UHFFFAOYSA-N
XLogP0.06
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)ethanol?
The IUPAC name of 2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)ethanol (CID 130854946) is 2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)ethanol.
What is the SMILES notation for 2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)ethanol?
The canonical SMILES for 2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)ethanol is OCCSC1=NCCCN1.
What is the InChIKey of 2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)ethanol?
The InChIKey is MYXGNARUMOIBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2OS/c9-4-5-10-6-7-2-1-3-8-6/h9H,1-5H2,(H,7,8).
What are the key properties of 2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)ethanol?
2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)ethanol has a molecular weight of 160.24 g/mol, XLogP of 0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)ethanol is sourced from PubChem (CID 130854946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).