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

C13H18N4S — CID 114273480

IUPAC1-(1-thieno[2,3-d]pyrimidin-2-ylpiperidin-4-yl)ethanamine
SMILESCC(N)C1CCN(c2ncc3ccsc3n2)CC1
InChIInChI=1S/C13H18N4S/c1-9(14)10-2-5-17(6-3-10)13-15-8-11-4-7-18-12(11)16-13/h4,7-10H,2-3,5-6,14H2,1H3
InChIKeyBFMMNNUPZITVHT-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.25
Rot. Bonds2

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

1-(1-thieno[2,3-d]pyrimidin-2-ylpiperidin-4-yl)ethanamine (PubChem CID 114273480) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is 1-(1-thieno[2,3-d]pyrimidin-2-ylpiperidin-4-yl)ethanamine.

Molecular Properties

Compound Name1-(1-thieno[2,3-d]pyrimidin-2-ylpiperidin-4-yl)ethanamine
PubChem CID114273480
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name1-(1-thieno[2,3-d]pyrimidin-2-ylpiperidin-4-yl)ethanamine
SMILESCC(N)C1CCN(c2ncc3ccsc3n2)CC1
InChIInChI=1S/C13H18N4S/c1-9(14)10-2-5-17(6-3-10)13-15-8-11-4-7-18-12(11)16-13/h4,7-10H,2-3,5-6,14H2,1H3
InChIKeyBFMMNNUPZITVHT-UHFFFAOYSA-N
XLogP2.25
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-thieno[2,3-d]pyrimidin-2-ylpiperidin-4-yl)ethanamine?
The IUPAC name of 1-(1-thieno[2,3-d]pyrimidin-2-ylpiperidin-4-yl)ethanamine (CID 114273480) is 1-(1-thieno[2,3-d]pyrimidin-2-ylpiperidin-4-yl)ethanamine.
What is the SMILES notation for 1-(1-thieno[2,3-d]pyrimidin-2-ylpiperidin-4-yl)ethanamine?
The canonical SMILES for 1-(1-thieno[2,3-d]pyrimidin-2-ylpiperidin-4-yl)ethanamine is CC(N)C1CCN(c2ncc3ccsc3n2)CC1.
What is the InChIKey of 1-(1-thieno[2,3-d]pyrimidin-2-ylpiperidin-4-yl)ethanamine?
The InChIKey is BFMMNNUPZITVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-9(14)10-2-5-17(6-3-10)13-15-8-11-4-7-18-12(11)16-13/h4,7-10H,2-3,5-6,14H2,1H3.
What are the key properties of 1-(1-thieno[2,3-d]pyrimidin-2-ylpiperidin-4-yl)ethanamine?
1-(1-thieno[2,3-d]pyrimidin-2-ylpiperidin-4-yl)ethanamine has a molecular weight of 262.38 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-thieno[2,3-d]pyrimidin-2-ylpiperidin-4-yl)ethanamine is sourced from PubChem (CID 114273480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).