2-(2-aminopyrimidin-4-yl)sulfanylethanol

C6H9N3OS — CID 80884824

IUPAC2-(2-aminopyrimidin-4-yl)sulfanylethanol
SMILESNc1nccc(SCCO)n1
InChIInChI=1S/C6H9N3OS/c7-6-8-2-1-5(9-6)11-4-3-10/h1-2,10H,3-4H2,(H2,7,8,9)
InChIKeyWJYUNESFBVZGFF-UHFFFAOYSA-N
MW171.23 g/mol
LogP0.14
Rot. Bonds3

About 2-(2-aminopyrimidin-4-yl)sulfanylethanol

2-(2-aminopyrimidin-4-yl)sulfanylethanol (PubChem CID 80884824) has the molecular formula C6H9N3OS and a molecular weight of 171.23 g/mol. Its IUPAC name is 2-(2-aminopyrimidin-4-yl)sulfanylethanol.

Molecular Properties

Compound Name2-(2-aminopyrimidin-4-yl)sulfanylethanol
PubChem CID80884824
Molecular FormulaC6H9N3OS
Molecular Weight171.23 g/mol
Exact Mass171.05
IUPAC Name2-(2-aminopyrimidin-4-yl)sulfanylethanol
SMILESNc1nccc(SCCO)n1
InChIInChI=1S/C6H9N3OS/c7-6-8-2-1-5(9-6)11-4-3-10/h1-2,10H,3-4H2,(H2,7,8,9)
InChIKeyWJYUNESFBVZGFF-UHFFFAOYSA-N
XLogP0.14
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.23
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopyrimidin-4-yl)sulfanylethanol?
The IUPAC name of 2-(2-aminopyrimidin-4-yl)sulfanylethanol (CID 80884824) is 2-(2-aminopyrimidin-4-yl)sulfanylethanol.
What is the SMILES notation for 2-(2-aminopyrimidin-4-yl)sulfanylethanol?
The canonical SMILES for 2-(2-aminopyrimidin-4-yl)sulfanylethanol is Nc1nccc(SCCO)n1.
What is the InChIKey of 2-(2-aminopyrimidin-4-yl)sulfanylethanol?
The InChIKey is WJYUNESFBVZGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3OS/c7-6-8-2-1-5(9-6)11-4-3-10/h1-2,10H,3-4H2,(H2,7,8,9).
What are the key properties of 2-(2-aminopyrimidin-4-yl)sulfanylethanol?
2-(2-aminopyrimidin-4-yl)sulfanylethanol has a molecular weight of 171.23 g/mol, XLogP of 0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopyrimidin-4-yl)sulfanylethanol is sourced from PubChem (CID 80884824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).