4-piperidin-4-yloxythieno[3,2-d]pyrimidine

C11H13N3OS — CID 62344427

IUPAC4-piperidin-4-yloxythieno[3,2-d]pyrimidine
SMILESc1nc(OC2CCNCC2)c2sccc2n1
InChIInChI=1S/C11H13N3OS/c1-4-12-5-2-8(1)15-11-10-9(3-6-16-10)13-7-14-11/h3,6-8,12H,1-2,4-5H2
InChIKeyTUYFUZLFLGKJID-UHFFFAOYSA-N
MW235.31 g/mol
LogP1.82
Rot. Bonds2

About 4-piperidin-4-yloxythieno[3,2-d]pyrimidine

4-piperidin-4-yloxythieno[3,2-d]pyrimidine (PubChem CID 62344427) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 4-piperidin-4-yloxythieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-piperidin-4-yloxythieno[3,2-d]pyrimidine
PubChem CID62344427
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name4-piperidin-4-yloxythieno[3,2-d]pyrimidine
SMILESc1nc(OC2CCNCC2)c2sccc2n1
InChIInChI=1S/C11H13N3OS/c1-4-12-5-2-8(1)15-11-10-9(3-6-16-10)13-7-14-11/h3,6-8,12H,1-2,4-5H2
InChIKeyTUYFUZLFLGKJID-UHFFFAOYSA-N
XLogP1.82
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-4-yloxythieno[3,2-d]pyrimidine?
The IUPAC name of 4-piperidin-4-yloxythieno[3,2-d]pyrimidine (CID 62344427) is 4-piperidin-4-yloxythieno[3,2-d]pyrimidine.
What is the SMILES notation for 4-piperidin-4-yloxythieno[3,2-d]pyrimidine?
The canonical SMILES for 4-piperidin-4-yloxythieno[3,2-d]pyrimidine is c1nc(OC2CCNCC2)c2sccc2n1.
What is the InChIKey of 4-piperidin-4-yloxythieno[3,2-d]pyrimidine?
The InChIKey is TUYFUZLFLGKJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-4-12-5-2-8(1)15-11-10-9(3-6-16-10)13-7-14-11/h3,6-8,12H,1-2,4-5H2.
What are the key properties of 4-piperidin-4-yloxythieno[3,2-d]pyrimidine?
4-piperidin-4-yloxythieno[3,2-d]pyrimidine has a molecular weight of 235.31 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-4-yloxythieno[3,2-d]pyrimidine is sourced from PubChem (CID 62344427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).