2-methyl-4-piperidin-1-yl-5-thiophen-2-ylthieno[2,3-d]pyrimidine

C16H17N3S2 — CID 2461526

IUPAC2-methyl-4-piperidin-1-yl-5-thiophen-2-ylthieno[2,3-d]pyrimidine
SMILESCc1nc(N2CCCCC2)c2c(-c3cccs3)csc2n1
InChIInChI=1S/C16H17N3S2/c1-11-17-15(19-7-3-2-4-8-19)14-12(10-21-16(14)18-11)13-6-5-9-20-13/h5-6,9-10H,2-4,7-8H2,1H3
InChIKeyZNYXHTQSHGCKPZ-UHFFFAOYSA-N
MW315.47 g/mol
LogP4.72
Rot. Bonds2

About 2-methyl-4-piperidin-1-yl-5-thiophen-2-ylthieno[2,3-d]pyrimidine

2-methyl-4-piperidin-1-yl-5-thiophen-2-ylthieno[2,3-d]pyrimidine (PubChem CID 2461526) has the molecular formula C16H17N3S2 and a molecular weight of 315.47 g/mol. Its IUPAC name is 2-methyl-4-piperidin-1-yl-5-thiophen-2-ylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-piperidin-1-yl-5-thiophen-2-ylthieno[2,3-d]pyrimidine
PubChem CID2461526
Molecular FormulaC16H17N3S2
Molecular Weight315.47 g/mol
Exact Mass315.09
IUPAC Name2-methyl-4-piperidin-1-yl-5-thiophen-2-ylthieno[2,3-d]pyrimidine
SMILESCc1nc(N2CCCCC2)c2c(-c3cccs3)csc2n1
InChIInChI=1S/C16H17N3S2/c1-11-17-15(19-7-3-2-4-8-19)14-12(10-21-16(14)18-11)13-6-5-9-20-13/h5-6,9-10H,2-4,7-8H2,1H3
InChIKeyZNYXHTQSHGCKPZ-UHFFFAOYSA-N
XLogP4.72
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.47
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-piperidin-1-yl-5-thiophen-2-ylthieno[2,3-d]pyrimidine?
The IUPAC name of 2-methyl-4-piperidin-1-yl-5-thiophen-2-ylthieno[2,3-d]pyrimidine (CID 2461526) is 2-methyl-4-piperidin-1-yl-5-thiophen-2-ylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 2-methyl-4-piperidin-1-yl-5-thiophen-2-ylthieno[2,3-d]pyrimidine?
The canonical SMILES for 2-methyl-4-piperidin-1-yl-5-thiophen-2-ylthieno[2,3-d]pyrimidine is Cc1nc(N2CCCCC2)c2c(-c3cccs3)csc2n1.
What is the InChIKey of 2-methyl-4-piperidin-1-yl-5-thiophen-2-ylthieno[2,3-d]pyrimidine?
The InChIKey is ZNYXHTQSHGCKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S2/c1-11-17-15(19-7-3-2-4-8-19)14-12(10-21-16(14)18-11)13-6-5-9-20-13/h5-6,9-10H,2-4,7-8H2,1H3.
What are the key properties of 2-methyl-4-piperidin-1-yl-5-thiophen-2-ylthieno[2,3-d]pyrimidine?
2-methyl-4-piperidin-1-yl-5-thiophen-2-ylthieno[2,3-d]pyrimidine has a molecular weight of 315.47 g/mol, XLogP of 4.72, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-piperidin-1-yl-5-thiophen-2-ylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 2461526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).