2-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)ethanamine;2,2,2-trifluoroacetic acid

C15H19F3N4O2S — CID 118621255

IUPAC2-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)ethanamine;2,2,2-trifluoroacetic acid
SMILESNCCC1CCN(c2ncnc3ccsc23)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H18N4S.C2HF3O2/c14-5-1-10-2-6-17(7-3-10)13-12-11(4-8-18-12)15-9-16-13;3-2(4,5)1(6)7/h4,8-10H,1-3,5-7,14H2;(H,6,7)
InChIKeySKXFWXXTSLJVSD-UHFFFAOYSA-N
MW376.40 g/mol
LogP2.89
Rot. Bonds3

About 2-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)ethanamine;2,2,2-trifluoroacetic acid

2-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)ethanamine;2,2,2-trifluoroacetic acid (PubChem CID 118621255) has the molecular formula C15H19F3N4O2S and a molecular weight of 376.40 g/mol. Its IUPAC name is 2-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)ethanamine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)ethanamine;2,2,2-trifluoroacetic acid
PubChem CID118621255
Molecular FormulaC15H19F3N4O2S
Molecular Weight376.40 g/mol
Exact Mass376.12
IUPAC Name2-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)ethanamine;2,2,2-trifluoroacetic acid
SMILESNCCC1CCN(c2ncnc3ccsc23)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H18N4S.C2HF3O2/c14-5-1-10-2-6-17(7-3-10)13-12-11(4-8-18-12)15-9-16-13;3-2(4,5)1(6)7/h4,8-10H,1-3,5-7,14H2;(H,6,7)
InChIKeySKXFWXXTSLJVSD-UHFFFAOYSA-N
XLogP2.89
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)ethanamine;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)ethanamine;2,2,2-trifluoroacetic acid (CID 118621255) is 2-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)ethanamine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)ethanamine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)ethanamine;2,2,2-trifluoroacetic acid is NCCC1CCN(c2ncnc3ccsc23)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)ethanamine;2,2,2-trifluoroacetic acid?
The InChIKey is SKXFWXXTSLJVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S.C2HF3O2/c14-5-1-10-2-6-17(7-3-10)13-12-11(4-8-18-12)15-9-16-13;3-2(4,5)1(6)7/h4,8-10H,1-3,5-7,14H2;(H,6,7).
What are the key properties of 2-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)ethanamine;2,2,2-trifluoroacetic acid?
2-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)ethanamine;2,2,2-trifluoroacetic acid has a molecular weight of 376.40 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)ethanamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118621255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).