6-piperidin-4-ylthieno[2,3-d]pyrimidine

C11H13N3S — CID 96608942

IUPAC6-piperidin-4-ylthieno[2,3-d]pyrimidine
SMILESc1ncc2cc(C3CCNCC3)sc2n1
InChIInChI=1S/C11H13N3S/c1-3-12-4-2-8(1)10-5-9-6-13-7-14-11(9)15-10/h5-8,12H,1-4H2
InChIKeyOUSQCMWGVMTHMO-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.16
Rot. Bonds1

About 6-piperidin-4-ylthieno[2,3-d]pyrimidine

6-piperidin-4-ylthieno[2,3-d]pyrimidine (PubChem CID 96608942) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 6-piperidin-4-ylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-piperidin-4-ylthieno[2,3-d]pyrimidine
PubChem CID96608942
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC Name6-piperidin-4-ylthieno[2,3-d]pyrimidine
SMILESc1ncc2cc(C3CCNCC3)sc2n1
InChIInChI=1S/C11H13N3S/c1-3-12-4-2-8(1)10-5-9-6-13-7-14-11(9)15-10/h5-8,12H,1-4H2
InChIKeyOUSQCMWGVMTHMO-UHFFFAOYSA-N
XLogP2.16
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-piperidin-4-ylthieno[2,3-d]pyrimidine?
The IUPAC name of 6-piperidin-4-ylthieno[2,3-d]pyrimidine (CID 96608942) is 6-piperidin-4-ylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 6-piperidin-4-ylthieno[2,3-d]pyrimidine?
The canonical SMILES for 6-piperidin-4-ylthieno[2,3-d]pyrimidine is c1ncc2cc(C3CCNCC3)sc2n1.
What is the InChIKey of 6-piperidin-4-ylthieno[2,3-d]pyrimidine?
The InChIKey is OUSQCMWGVMTHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S/c1-3-12-4-2-8(1)10-5-9-6-13-7-14-11(9)15-10/h5-8,12H,1-4H2.
What are the key properties of 6-piperidin-4-ylthieno[2,3-d]pyrimidine?
6-piperidin-4-ylthieno[2,3-d]pyrimidine has a molecular weight of 219.31 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperidin-4-ylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 96608942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).