2-(2-methylpropyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidine

C14H14N2S2 — CID 90981321

IUPAC2-(2-methylpropyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidine
SMILESCC(C)Cc1ncc2c(-c3cccs3)csc2n1
InChIInChI=1S/C14H14N2S2/c1-9(2)6-13-15-7-10-11(8-18-14(10)16-13)12-4-3-5-17-12/h3-5,7-9H,6H2,1-2H3
InChIKeyDGXBASIPONVPCF-UHFFFAOYSA-N
MW274.41 g/mol
LogP4.62
Rot. Bonds3

About 2-(2-methylpropyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidine

2-(2-methylpropyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidine (PubChem CID 90981321) has the molecular formula C14H14N2S2 and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-(2-methylpropyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-(2-methylpropyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidine
PubChem CID90981321
Molecular FormulaC14H14N2S2
Molecular Weight274.41 g/mol
Exact Mass274.06
IUPAC Name2-(2-methylpropyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidine
SMILESCC(C)Cc1ncc2c(-c3cccs3)csc2n1
InChIInChI=1S/C14H14N2S2/c1-9(2)6-13-15-7-10-11(8-18-14(10)16-13)12-4-3-5-17-12/h3-5,7-9H,6H2,1-2H3
InChIKeyDGXBASIPONVPCF-UHFFFAOYSA-N
XLogP4.62
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidine?
The IUPAC name of 2-(2-methylpropyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidine (CID 90981321) is 2-(2-methylpropyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 2-(2-methylpropyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidine?
The canonical SMILES for 2-(2-methylpropyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidine is CC(C)Cc1ncc2c(-c3cccs3)csc2n1.
What is the InChIKey of 2-(2-methylpropyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidine?
The InChIKey is DGXBASIPONVPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2S2/c1-9(2)6-13-15-7-10-11(8-18-14(10)16-13)12-4-3-5-17-12/h3-5,7-9H,6H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidine?
2-(2-methylpropyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidine has a molecular weight of 274.41 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-5-thiophen-2-ylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 90981321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).