5-fluoro-4-(4-methoxyphenyl)sulfanylpyrimidin-2-amine

C11H10FN3OS — CID 80883166

IUPAC5-fluoro-4-(4-methoxyphenyl)sulfanylpyrimidin-2-amine
SMILESCOc1ccc(Sc2nc(N)ncc2F)cc1
InChIInChI=1S/C11H10FN3OS/c1-16-7-2-4-8(5-3-7)17-10-9(12)6-14-11(13)15-10/h2-6H,1H3,(H2,13,14,15)
InChIKeyNSKZSRXFHRSKMV-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.36
Rot. Bonds3

About 5-fluoro-4-(4-methoxyphenyl)sulfanylpyrimidin-2-amine

5-fluoro-4-(4-methoxyphenyl)sulfanylpyrimidin-2-amine (PubChem CID 80883166) has the molecular formula C11H10FN3OS and a molecular weight of 251.29 g/mol. Its IUPAC name is 5-fluoro-4-(4-methoxyphenyl)sulfanylpyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-(4-methoxyphenyl)sulfanylpyrimidin-2-amine
PubChem CID80883166
Molecular FormulaC11H10FN3OS
Molecular Weight251.29 g/mol
Exact Mass251.05
IUPAC Name5-fluoro-4-(4-methoxyphenyl)sulfanylpyrimidin-2-amine
SMILESCOc1ccc(Sc2nc(N)ncc2F)cc1
InChIInChI=1S/C11H10FN3OS/c1-16-7-2-4-8(5-3-7)17-10-9(12)6-14-11(13)15-10/h2-6H,1H3,(H2,13,14,15)
InChIKeyNSKZSRXFHRSKMV-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(4-methoxyphenyl)sulfanylpyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-(4-methoxyphenyl)sulfanylpyrimidin-2-amine (CID 80883166) is 5-fluoro-4-(4-methoxyphenyl)sulfanylpyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-(4-methoxyphenyl)sulfanylpyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-(4-methoxyphenyl)sulfanylpyrimidin-2-amine is COc1ccc(Sc2nc(N)ncc2F)cc1.
What is the InChIKey of 5-fluoro-4-(4-methoxyphenyl)sulfanylpyrimidin-2-amine?
The InChIKey is NSKZSRXFHRSKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3OS/c1-16-7-2-4-8(5-3-7)17-10-9(12)6-14-11(13)15-10/h2-6H,1H3,(H2,13,14,15).
What are the key properties of 5-fluoro-4-(4-methoxyphenyl)sulfanylpyrimidin-2-amine?
5-fluoro-4-(4-methoxyphenyl)sulfanylpyrimidin-2-amine has a molecular weight of 251.29 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(4-methoxyphenyl)sulfanylpyrimidin-2-amine is sourced from PubChem (CID 80883166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).