2-(2-amino-5-fluoropyrimidin-4-yl)sulfanylethanol

C6H8FN3OS — CID 80885069

IUPAC2-(2-amino-5-fluoropyrimidin-4-yl)sulfanylethanol
SMILESNc1ncc(F)c(SCCO)n1
InChIInChI=1S/C6H8FN3OS/c7-4-3-9-6(8)10-5(4)12-2-1-11/h3,11H,1-2H2,(H2,8,9,10)
InChIKeyAUQVPQUDTRJQGU-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.28
Rot. Bonds3

About 2-(2-amino-5-fluoropyrimidin-4-yl)sulfanylethanol

2-(2-amino-5-fluoropyrimidin-4-yl)sulfanylethanol (PubChem CID 80885069) has the molecular formula C6H8FN3OS and a molecular weight of 189.22 g/mol. Its IUPAC name is 2-(2-amino-5-fluoropyrimidin-4-yl)sulfanylethanol.

Molecular Properties

Compound Name2-(2-amino-5-fluoropyrimidin-4-yl)sulfanylethanol
PubChem CID80885069
Molecular FormulaC6H8FN3OS
Molecular Weight189.22 g/mol
Exact Mass189.04
IUPAC Name2-(2-amino-5-fluoropyrimidin-4-yl)sulfanylethanol
SMILESNc1ncc(F)c(SCCO)n1
InChIInChI=1S/C6H8FN3OS/c7-4-3-9-6(8)10-5(4)12-2-1-11/h3,11H,1-2H2,(H2,8,9,10)
InChIKeyAUQVPQUDTRJQGU-UHFFFAOYSA-N
XLogP0.28
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-fluoropyrimidin-4-yl)sulfanylethanol?
The IUPAC name of 2-(2-amino-5-fluoropyrimidin-4-yl)sulfanylethanol (CID 80885069) is 2-(2-amino-5-fluoropyrimidin-4-yl)sulfanylethanol.
What is the SMILES notation for 2-(2-amino-5-fluoropyrimidin-4-yl)sulfanylethanol?
The canonical SMILES for 2-(2-amino-5-fluoropyrimidin-4-yl)sulfanylethanol is Nc1ncc(F)c(SCCO)n1.
What is the InChIKey of 2-(2-amino-5-fluoropyrimidin-4-yl)sulfanylethanol?
The InChIKey is AUQVPQUDTRJQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FN3OS/c7-4-3-9-6(8)10-5(4)12-2-1-11/h3,11H,1-2H2,(H2,8,9,10).
What are the key properties of 2-(2-amino-5-fluoropyrimidin-4-yl)sulfanylethanol?
2-(2-amino-5-fluoropyrimidin-4-yl)sulfanylethanol has a molecular weight of 189.22 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-fluoropyrimidin-4-yl)sulfanylethanol is sourced from PubChem (CID 80885069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).