2-fluoro-5-(2-methylsulfanylpyrimidin-4-yl)oxyaniline

C11H10FN3OS — CID 67253399

IUPAC2-fluoro-5-(2-methylsulfanylpyrimidin-4-yl)oxyaniline
SMILESCSc1nccc(Oc2ccc(F)c(N)c2)n1
InChIInChI=1S/C11H10FN3OS/c1-17-11-14-5-4-10(15-11)16-7-2-3-8(12)9(13)6-7/h2-6H,13H2,1H3
InChIKeyDRIFPQFAWTZUEY-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.71
Rot. Bonds3

About 2-fluoro-5-(2-methylsulfanylpyrimidin-4-yl)oxyaniline

2-fluoro-5-(2-methylsulfanylpyrimidin-4-yl)oxyaniline (PubChem CID 67253399) has the molecular formula C11H10FN3OS and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-fluoro-5-(2-methylsulfanylpyrimidin-4-yl)oxyaniline.

Molecular Properties

Compound Name2-fluoro-5-(2-methylsulfanylpyrimidin-4-yl)oxyaniline
PubChem CID67253399
Molecular FormulaC11H10FN3OS
Molecular Weight251.29 g/mol
Exact Mass251.05
IUPAC Name2-fluoro-5-(2-methylsulfanylpyrimidin-4-yl)oxyaniline
SMILESCSc1nccc(Oc2ccc(F)c(N)c2)n1
InChIInChI=1S/C11H10FN3OS/c1-17-11-14-5-4-10(15-11)16-7-2-3-8(12)9(13)6-7/h2-6H,13H2,1H3
InChIKeyDRIFPQFAWTZUEY-UHFFFAOYSA-N
XLogP2.71
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(2-methylsulfanylpyrimidin-4-yl)oxyaniline?
The IUPAC name of 2-fluoro-5-(2-methylsulfanylpyrimidin-4-yl)oxyaniline (CID 67253399) is 2-fluoro-5-(2-methylsulfanylpyrimidin-4-yl)oxyaniline.
What is the SMILES notation for 2-fluoro-5-(2-methylsulfanylpyrimidin-4-yl)oxyaniline?
The canonical SMILES for 2-fluoro-5-(2-methylsulfanylpyrimidin-4-yl)oxyaniline is CSc1nccc(Oc2ccc(F)c(N)c2)n1.
What is the InChIKey of 2-fluoro-5-(2-methylsulfanylpyrimidin-4-yl)oxyaniline?
The InChIKey is DRIFPQFAWTZUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3OS/c1-17-11-14-5-4-10(15-11)16-7-2-3-8(12)9(13)6-7/h2-6H,13H2,1H3.
What are the key properties of 2-fluoro-5-(2-methylsulfanylpyrimidin-4-yl)oxyaniline?
2-fluoro-5-(2-methylsulfanylpyrimidin-4-yl)oxyaniline has a molecular weight of 251.29 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(2-methylsulfanylpyrimidin-4-yl)oxyaniline is sourced from PubChem (CID 67253399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).