2-[(5-fluoro-2-thiophen-3-ylpyrimidin-4-yl)amino]ethanol

C10H10FN3OS — CID 39782169

IUPAC2-[(5-fluoro-2-thiophen-3-ylpyrimidin-4-yl)amino]ethanol
SMILESOCCNc1nc(-c2ccsc2)ncc1F
InChIInChI=1S/C10H10FN3OS/c11-8-5-13-9(7-1-4-16-6-7)14-10(8)12-2-3-15/h1,4-6,15H,2-3H2,(H,12,13,14)
InChIKeyUJXCZWWUANWFGW-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.75
Rot. Bonds4

About 2-[(5-fluoro-2-thiophen-3-ylpyrimidin-4-yl)amino]ethanol

2-[(5-fluoro-2-thiophen-3-ylpyrimidin-4-yl)amino]ethanol (PubChem CID 39782169) has the molecular formula C10H10FN3OS and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-[(5-fluoro-2-thiophen-3-ylpyrimidin-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(5-fluoro-2-thiophen-3-ylpyrimidin-4-yl)amino]ethanol
PubChem CID39782169
Molecular FormulaC10H10FN3OS
Molecular Weight239.28 g/mol
Exact Mass239.05
IUPAC Name2-[(5-fluoro-2-thiophen-3-ylpyrimidin-4-yl)amino]ethanol
SMILESOCCNc1nc(-c2ccsc2)ncc1F
InChIInChI=1S/C10H10FN3OS/c11-8-5-13-9(7-1-4-16-6-7)14-10(8)12-2-3-15/h1,4-6,15H,2-3H2,(H,12,13,14)
InChIKeyUJXCZWWUANWFGW-UHFFFAOYSA-N
XLogP1.75
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-2-thiophen-3-ylpyrimidin-4-yl)amino]ethanol?
The IUPAC name of 2-[(5-fluoro-2-thiophen-3-ylpyrimidin-4-yl)amino]ethanol (CID 39782169) is 2-[(5-fluoro-2-thiophen-3-ylpyrimidin-4-yl)amino]ethanol.
What is the SMILES notation for 2-[(5-fluoro-2-thiophen-3-ylpyrimidin-4-yl)amino]ethanol?
The canonical SMILES for 2-[(5-fluoro-2-thiophen-3-ylpyrimidin-4-yl)amino]ethanol is OCCNc1nc(-c2ccsc2)ncc1F.
What is the InChIKey of 2-[(5-fluoro-2-thiophen-3-ylpyrimidin-4-yl)amino]ethanol?
The InChIKey is UJXCZWWUANWFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3OS/c11-8-5-13-9(7-1-4-16-6-7)14-10(8)12-2-3-15/h1,4-6,15H,2-3H2,(H,12,13,14).
What are the key properties of 2-[(5-fluoro-2-thiophen-3-ylpyrimidin-4-yl)amino]ethanol?
2-[(5-fluoro-2-thiophen-3-ylpyrimidin-4-yl)amino]ethanol has a molecular weight of 239.28 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-2-thiophen-3-ylpyrimidin-4-yl)amino]ethanol is sourced from PubChem (CID 39782169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).