5-fluoro-4-piperidin-1-yl-6-(thiophen-2-ylsulfinylmethyl)pyrimidine

C14H16FN3OS2 — CID 57061886

IUPAC5-fluoro-4-piperidin-1-yl-6-(thiophen-2-ylsulfinylmethyl)pyrimidine
SMILESO=S(Cc1ncnc(N2CCCCC2)c1F)c1cccs1
InChIInChI=1S/C14H16FN3OS2/c15-13-11(9-21(19)12-5-4-8-20-12)16-10-17-14(13)18-6-2-1-3-7-18/h4-5,8,10H,1-3,6-7,9H2
InChIKeyZFVYJNFYUHJBAF-UHFFFAOYSA-N
MW325.43 g/mol
LogP2.98
Rot. Bonds4

About 5-fluoro-4-piperidin-1-yl-6-(thiophen-2-ylsulfinylmethyl)pyrimidine

5-fluoro-4-piperidin-1-yl-6-(thiophen-2-ylsulfinylmethyl)pyrimidine (PubChem CID 57061886) has the molecular formula C14H16FN3OS2 and a molecular weight of 325.43 g/mol. Its IUPAC name is 5-fluoro-4-piperidin-1-yl-6-(thiophen-2-ylsulfinylmethyl)pyrimidine.

Molecular Properties

Compound Name5-fluoro-4-piperidin-1-yl-6-(thiophen-2-ylsulfinylmethyl)pyrimidine
PubChem CID57061886
Molecular FormulaC14H16FN3OS2
Molecular Weight325.43 g/mol
Exact Mass325.07
IUPAC Name5-fluoro-4-piperidin-1-yl-6-(thiophen-2-ylsulfinylmethyl)pyrimidine
SMILESO=S(Cc1ncnc(N2CCCCC2)c1F)c1cccs1
InChIInChI=1S/C14H16FN3OS2/c15-13-11(9-21(19)12-5-4-8-20-12)16-10-17-14(13)18-6-2-1-3-7-18/h4-5,8,10H,1-3,6-7,9H2
InChIKeyZFVYJNFYUHJBAF-UHFFFAOYSA-N
XLogP2.98
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-piperidin-1-yl-6-(thiophen-2-ylsulfinylmethyl)pyrimidine?
The IUPAC name of 5-fluoro-4-piperidin-1-yl-6-(thiophen-2-ylsulfinylmethyl)pyrimidine (CID 57061886) is 5-fluoro-4-piperidin-1-yl-6-(thiophen-2-ylsulfinylmethyl)pyrimidine.
What is the SMILES notation for 5-fluoro-4-piperidin-1-yl-6-(thiophen-2-ylsulfinylmethyl)pyrimidine?
The canonical SMILES for 5-fluoro-4-piperidin-1-yl-6-(thiophen-2-ylsulfinylmethyl)pyrimidine is O=S(Cc1ncnc(N2CCCCC2)c1F)c1cccs1.
What is the InChIKey of 5-fluoro-4-piperidin-1-yl-6-(thiophen-2-ylsulfinylmethyl)pyrimidine?
The InChIKey is ZFVYJNFYUHJBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3OS2/c15-13-11(9-21(19)12-5-4-8-20-12)16-10-17-14(13)18-6-2-1-3-7-18/h4-5,8,10H,1-3,6-7,9H2.
What are the key properties of 5-fluoro-4-piperidin-1-yl-6-(thiophen-2-ylsulfinylmethyl)pyrimidine?
5-fluoro-4-piperidin-1-yl-6-(thiophen-2-ylsulfinylmethyl)pyrimidine has a molecular weight of 325.43 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-piperidin-1-yl-6-(thiophen-2-ylsulfinylmethyl)pyrimidine is sourced from PubChem (CID 57061886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).