2-[(5-fluoro-2-methylsulfanylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol

C9H14FN3O2S — CID 685643

IUPAC2-[(5-fluoro-2-methylsulfanylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol
SMILESCSc1ncc(F)c(N(CCO)CCO)n1
InChIInChI=1S/C9H14FN3O2S/c1-16-9-11-6-7(10)8(12-9)13(2-4-14)3-5-15/h6,14-15H,2-5H2,1H3
InChIKeyLXZNLEVOSZZDGW-UHFFFAOYSA-N
MW247.29 g/mol
LogP0.13
Rot. Bonds6

About 2-[(5-fluoro-2-methylsulfanylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol

2-[(5-fluoro-2-methylsulfanylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol (PubChem CID 685643) has the molecular formula C9H14FN3O2S and a molecular weight of 247.29 g/mol. Its IUPAC name is 2-[(5-fluoro-2-methylsulfanylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(5-fluoro-2-methylsulfanylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol
PubChem CID685643
Molecular FormulaC9H14FN3O2S
Molecular Weight247.29 g/mol
Exact Mass247.08
IUPAC Name2-[(5-fluoro-2-methylsulfanylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol
SMILESCSc1ncc(F)c(N(CCO)CCO)n1
InChIInChI=1S/C9H14FN3O2S/c1-16-9-11-6-7(10)8(12-9)13(2-4-14)3-5-15/h6,14-15H,2-5H2,1H3
InChIKeyLXZNLEVOSZZDGW-UHFFFAOYSA-N
XLogP0.13
TPSA69.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-2-methylsulfanylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[(5-fluoro-2-methylsulfanylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol (CID 685643) is 2-[(5-fluoro-2-methylsulfanylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[(5-fluoro-2-methylsulfanylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[(5-fluoro-2-methylsulfanylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol is CSc1ncc(F)c(N(CCO)CCO)n1.
What is the InChIKey of 2-[(5-fluoro-2-methylsulfanylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol?
The InChIKey is LXZNLEVOSZZDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3O2S/c1-16-9-11-6-7(10)8(12-9)13(2-4-14)3-5-15/h6,14-15H,2-5H2,1H3.
What are the key properties of 2-[(5-fluoro-2-methylsulfanylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol?
2-[(5-fluoro-2-methylsulfanylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol has a molecular weight of 247.29 g/mol, XLogP of 0.13, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-2-methylsulfanylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 685643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).