5-fluoro-2-(4-thiophen-2-ylpiperazin-1-yl)pyrimidine

C12H13FN4S — CID 57197637

IUPAC5-fluoro-2-(4-thiophen-2-ylpiperazin-1-yl)pyrimidine
SMILESFc1cnc(N2CCN(c3cccs3)CC2)nc1
InChIInChI=1S/C12H13FN4S/c13-10-8-14-12(15-9-10)17-5-3-16(4-6-17)11-2-1-7-18-11/h1-2,7-9H,3-6H2
InChIKeyNZVSSJWFXXTUHC-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.00
Rot. Bonds2

About 5-fluoro-2-(4-thiophen-2-ylpiperazin-1-yl)pyrimidine

5-fluoro-2-(4-thiophen-2-ylpiperazin-1-yl)pyrimidine (PubChem CID 57197637) has the molecular formula C12H13FN4S and a molecular weight of 264.33 g/mol. Its IUPAC name is 5-fluoro-2-(4-thiophen-2-ylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name5-fluoro-2-(4-thiophen-2-ylpiperazin-1-yl)pyrimidine
PubChem CID57197637
Molecular FormulaC12H13FN4S
Molecular Weight264.33 g/mol
Exact Mass264.08
IUPAC Name5-fluoro-2-(4-thiophen-2-ylpiperazin-1-yl)pyrimidine
SMILESFc1cnc(N2CCN(c3cccs3)CC2)nc1
InChIInChI=1S/C12H13FN4S/c13-10-8-14-12(15-9-10)17-5-3-16(4-6-17)11-2-1-7-18-11/h1-2,7-9H,3-6H2
InChIKeyNZVSSJWFXXTUHC-UHFFFAOYSA-N
XLogP2.00
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(4-thiophen-2-ylpiperazin-1-yl)pyrimidine?
The IUPAC name of 5-fluoro-2-(4-thiophen-2-ylpiperazin-1-yl)pyrimidine (CID 57197637) is 5-fluoro-2-(4-thiophen-2-ylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 5-fluoro-2-(4-thiophen-2-ylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 5-fluoro-2-(4-thiophen-2-ylpiperazin-1-yl)pyrimidine is Fc1cnc(N2CCN(c3cccs3)CC2)nc1.
What is the InChIKey of 5-fluoro-2-(4-thiophen-2-ylpiperazin-1-yl)pyrimidine?
The InChIKey is NZVSSJWFXXTUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4S/c13-10-8-14-12(15-9-10)17-5-3-16(4-6-17)11-2-1-7-18-11/h1-2,7-9H,3-6H2.
What are the key properties of 5-fluoro-2-(4-thiophen-2-ylpiperazin-1-yl)pyrimidine?
5-fluoro-2-(4-thiophen-2-ylpiperazin-1-yl)pyrimidine has a molecular weight of 264.33 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(4-thiophen-2-ylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 57197637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).