6-phenyl-4-piperidin-1-yl-2-(trifluoromethyl)thieno[3,2-d]pyrimidine

C18H16F3N3S — CID 21129849

IUPAC6-phenyl-4-piperidin-1-yl-2-(trifluoromethyl)thieno[3,2-d]pyrimidine
SMILESFC(F)(F)c1nc(N2CCCCC2)c2sc(-c3ccccc3)cc2n1
InChIInChI=1S/C18H16F3N3S/c19-18(20,21)17-22-13-11-14(12-7-3-1-4-8-12)25-15(13)16(23-17)24-9-5-2-6-10-24/h1,3-4,7-8,11H,2,5-6,9-10H2
InChIKeyVDWSYUGTASYCJW-UHFFFAOYSA-N
MW363.41 g/mol
LogP5.37
Rot. Bonds2

About 6-phenyl-4-piperidin-1-yl-2-(trifluoromethyl)thieno[3,2-d]pyrimidine

6-phenyl-4-piperidin-1-yl-2-(trifluoromethyl)thieno[3,2-d]pyrimidine (PubChem CID 21129849) has the molecular formula C18H16F3N3S and a molecular weight of 363.41 g/mol. Its IUPAC name is 6-phenyl-4-piperidin-1-yl-2-(trifluoromethyl)thieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name6-phenyl-4-piperidin-1-yl-2-(trifluoromethyl)thieno[3,2-d]pyrimidine
PubChem CID21129849
Molecular FormulaC18H16F3N3S
Molecular Weight363.41 g/mol
Exact Mass363.10
IUPAC Name6-phenyl-4-piperidin-1-yl-2-(trifluoromethyl)thieno[3,2-d]pyrimidine
SMILESFC(F)(F)c1nc(N2CCCCC2)c2sc(-c3ccccc3)cc2n1
InChIInChI=1S/C18H16F3N3S/c19-18(20,21)17-22-13-11-14(12-7-3-1-4-8-12)25-15(13)16(23-17)24-9-5-2-6-10-24/h1,3-4,7-8,11H,2,5-6,9-10H2
InChIKeyVDWSYUGTASYCJW-UHFFFAOYSA-N
XLogP5.37
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.41
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-4-piperidin-1-yl-2-(trifluoromethyl)thieno[3,2-d]pyrimidine?
The IUPAC name of 6-phenyl-4-piperidin-1-yl-2-(trifluoromethyl)thieno[3,2-d]pyrimidine (CID 21129849) is 6-phenyl-4-piperidin-1-yl-2-(trifluoromethyl)thieno[3,2-d]pyrimidine.
What is the SMILES notation for 6-phenyl-4-piperidin-1-yl-2-(trifluoromethyl)thieno[3,2-d]pyrimidine?
The canonical SMILES for 6-phenyl-4-piperidin-1-yl-2-(trifluoromethyl)thieno[3,2-d]pyrimidine is FC(F)(F)c1nc(N2CCCCC2)c2sc(-c3ccccc3)cc2n1.
What is the InChIKey of 6-phenyl-4-piperidin-1-yl-2-(trifluoromethyl)thieno[3,2-d]pyrimidine?
The InChIKey is VDWSYUGTASYCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3S/c19-18(20,21)17-22-13-11-14(12-7-3-1-4-8-12)25-15(13)16(23-17)24-9-5-2-6-10-24/h1,3-4,7-8,11H,2,5-6,9-10H2.
What are the key properties of 6-phenyl-4-piperidin-1-yl-2-(trifluoromethyl)thieno[3,2-d]pyrimidine?
6-phenyl-4-piperidin-1-yl-2-(trifluoromethyl)thieno[3,2-d]pyrimidine has a molecular weight of 363.41 g/mol, XLogP of 5.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-4-piperidin-1-yl-2-(trifluoromethyl)thieno[3,2-d]pyrimidine is sourced from PubChem (CID 21129849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).