5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-piperidin-1-ylthieno[2,3-d]pyrimidine

C19H19N3O2S — CID 2958647

IUPAC5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-piperidin-1-ylthieno[2,3-d]pyrimidine
SMILESc1ccc2c(c1)OCC(c1csc3ncnc(N4CCCCC4)c13)O2
InChIInChI=1S/C19H19N3O2S/c1-4-8-22(9-5-1)18-17-13(11-25-19(17)21-12-20-18)16-10-23-14-6-2-3-7-15(14)24-16/h2-3,6-7,11-12,16H,1,4-5,8-10H2
InChIKeyBRNCIBWJCNZHPD-UHFFFAOYSA-N
MW353.45 g/mol
LogP4.19
Rot. Bonds2

About 5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-piperidin-1-ylthieno[2,3-d]pyrimidine

5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-piperidin-1-ylthieno[2,3-d]pyrimidine (PubChem CID 2958647) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-piperidin-1-ylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-piperidin-1-ylthieno[2,3-d]pyrimidine
PubChem CID2958647
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-piperidin-1-ylthieno[2,3-d]pyrimidine
SMILESc1ccc2c(c1)OCC(c1csc3ncnc(N4CCCCC4)c13)O2
InChIInChI=1S/C19H19N3O2S/c1-4-8-22(9-5-1)18-17-13(11-25-19(17)21-12-20-18)16-10-23-14-6-2-3-7-15(14)24-16/h2-3,6-7,11-12,16H,1,4-5,8-10H2
InChIKeyBRNCIBWJCNZHPD-UHFFFAOYSA-N
XLogP4.19
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-piperidin-1-ylthieno[2,3-d]pyrimidine?
The IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-piperidin-1-ylthieno[2,3-d]pyrimidine (CID 2958647) is 5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-piperidin-1-ylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-piperidin-1-ylthieno[2,3-d]pyrimidine?
The canonical SMILES for 5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-piperidin-1-ylthieno[2,3-d]pyrimidine is c1ccc2c(c1)OCC(c1csc3ncnc(N4CCCCC4)c13)O2.
What is the InChIKey of 5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-piperidin-1-ylthieno[2,3-d]pyrimidine?
The InChIKey is BRNCIBWJCNZHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-4-8-22(9-5-1)18-17-13(11-25-19(17)21-12-20-18)16-10-23-14-6-2-3-7-15(14)24-16/h2-3,6-7,11-12,16H,1,4-5,8-10H2.
What are the key properties of 5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-piperidin-1-ylthieno[2,3-d]pyrimidine?
5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-piperidin-1-ylthieno[2,3-d]pyrimidine has a molecular weight of 353.45 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-piperidin-1-ylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 2958647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).