4-[3-(trifluoromethyl)azetidin-1-yl]thieno[2,3-d]pyrimidine

C10H8F3N3S — CID 171994938

IUPAC4-[3-(trifluoromethyl)azetidin-1-yl]thieno[2,3-d]pyrimidine
SMILESFC(F)(F)C1CN(c2ncnc3sccc23)C1
InChIInChI=1S/C10H8F3N3S/c11-10(12,13)6-3-16(4-6)8-7-1-2-17-9(7)15-5-14-8/h1-2,5-6H,3-4H2
InChIKeyGYWBZSPXBOSUOT-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.69
Rot. Bonds1

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

4-[3-(trifluoromethyl)azetidin-1-yl]thieno[2,3-d]pyrimidine (PubChem CID 171994938) has the molecular formula C10H8F3N3S and a molecular weight of 259.26 g/mol. Its IUPAC name is 4-[3-(trifluoromethyl)azetidin-1-yl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[3-(trifluoromethyl)azetidin-1-yl]thieno[2,3-d]pyrimidine
PubChem CID171994938
Molecular FormulaC10H8F3N3S
Molecular Weight259.26 g/mol
Exact Mass259.04
IUPAC Name4-[3-(trifluoromethyl)azetidin-1-yl]thieno[2,3-d]pyrimidine
SMILESFC(F)(F)C1CN(c2ncnc3sccc23)C1
InChIInChI=1S/C10H8F3N3S/c11-10(12,13)6-3-16(4-6)8-7-1-2-17-9(7)15-5-14-8/h1-2,5-6H,3-4H2
InChIKeyGYWBZSPXBOSUOT-UHFFFAOYSA-N
XLogP2.69
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(trifluoromethyl)azetidin-1-yl]thieno[2,3-d]pyrimidine?
The IUPAC name of 4-[3-(trifluoromethyl)azetidin-1-yl]thieno[2,3-d]pyrimidine (CID 171994938) is 4-[3-(trifluoromethyl)azetidin-1-yl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-[3-(trifluoromethyl)azetidin-1-yl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-[3-(trifluoromethyl)azetidin-1-yl]thieno[2,3-d]pyrimidine is FC(F)(F)C1CN(c2ncnc3sccc23)C1.
What is the InChIKey of 4-[3-(trifluoromethyl)azetidin-1-yl]thieno[2,3-d]pyrimidine?
The InChIKey is GYWBZSPXBOSUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3S/c11-10(12,13)6-3-16(4-6)8-7-1-2-17-9(7)15-5-14-8/h1-2,5-6H,3-4H2.
What are the key properties of 4-[3-(trifluoromethyl)azetidin-1-yl]thieno[2,3-d]pyrimidine?
4-[3-(trifluoromethyl)azetidin-1-yl]thieno[2,3-d]pyrimidine has a molecular weight of 259.26 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(trifluoromethyl)azetidin-1-yl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 171994938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).