4-piperidin-4-yl-2-thiophen-3-yl-6-(trifluoromethyl)pyrimidine

C14H14F3N3S — CID 46958181

IUPAC4-piperidin-4-yl-2-thiophen-3-yl-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(C2CCNCC2)nc(-c2ccsc2)n1
InChIInChI=1S/C14H14F3N3S/c15-14(16,17)12-7-11(9-1-4-18-5-2-9)19-13(20-12)10-3-6-21-8-10/h3,6-9,18H,1-2,4-5H2
InChIKeyTWNZQDQCQMCZGB-UHFFFAOYSA-N
MW313.35 g/mol
LogP3.69
Rot. Bonds2

About 4-piperidin-4-yl-2-thiophen-3-yl-6-(trifluoromethyl)pyrimidine

4-piperidin-4-yl-2-thiophen-3-yl-6-(trifluoromethyl)pyrimidine (PubChem CID 46958181) has the molecular formula C14H14F3N3S and a molecular weight of 313.35 g/mol. Its IUPAC name is 4-piperidin-4-yl-2-thiophen-3-yl-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-piperidin-4-yl-2-thiophen-3-yl-6-(trifluoromethyl)pyrimidine
PubChem CID46958181
Molecular FormulaC14H14F3N3S
Molecular Weight313.35 g/mol
Exact Mass313.09
IUPAC Name4-piperidin-4-yl-2-thiophen-3-yl-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(C2CCNCC2)nc(-c2ccsc2)n1
InChIInChI=1S/C14H14F3N3S/c15-14(16,17)12-7-11(9-1-4-18-5-2-9)19-13(20-12)10-3-6-21-8-10/h3,6-9,18H,1-2,4-5H2
InChIKeyTWNZQDQCQMCZGB-UHFFFAOYSA-N
XLogP3.69
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-4-yl-2-thiophen-3-yl-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-piperidin-4-yl-2-thiophen-3-yl-6-(trifluoromethyl)pyrimidine (CID 46958181) is 4-piperidin-4-yl-2-thiophen-3-yl-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-piperidin-4-yl-2-thiophen-3-yl-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-piperidin-4-yl-2-thiophen-3-yl-6-(trifluoromethyl)pyrimidine is FC(F)(F)c1cc(C2CCNCC2)nc(-c2ccsc2)n1.
What is the InChIKey of 4-piperidin-4-yl-2-thiophen-3-yl-6-(trifluoromethyl)pyrimidine?
The InChIKey is TWNZQDQCQMCZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3S/c15-14(16,17)12-7-11(9-1-4-18-5-2-9)19-13(20-12)10-3-6-21-8-10/h3,6-9,18H,1-2,4-5H2.
What are the key properties of 4-piperidin-4-yl-2-thiophen-3-yl-6-(trifluoromethyl)pyrimidine?
4-piperidin-4-yl-2-thiophen-3-yl-6-(trifluoromethyl)pyrimidine has a molecular weight of 313.35 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-4-yl-2-thiophen-3-yl-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 46958181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).