4-tert-butyl-5-thiophen-2-ylthieno[2,3-d]pyrimidine

C14H14N2S2 — CID 59774494

IUPAC4-tert-butyl-5-thiophen-2-ylthieno[2,3-d]pyrimidine
SMILESCC(C)(C)c1ncnc2scc(-c3cccs3)c12
InChIInChI=1S/C14H14N2S2/c1-14(2,3)12-11-9(10-5-4-6-17-10)7-18-13(11)16-8-15-12/h4-8H,1-3H3
InChIKeyUELZRCHBSDDNFO-UHFFFAOYSA-N
MW274.41 g/mol
LogP4.72
Rot. Bonds1

About 4-tert-butyl-5-thiophen-2-ylthieno[2,3-d]pyrimidine

4-tert-butyl-5-thiophen-2-ylthieno[2,3-d]pyrimidine (PubChem CID 59774494) has the molecular formula C14H14N2S2 and a molecular weight of 274.41 g/mol. Its IUPAC name is 4-tert-butyl-5-thiophen-2-ylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-tert-butyl-5-thiophen-2-ylthieno[2,3-d]pyrimidine
PubChem CID59774494
Molecular FormulaC14H14N2S2
Molecular Weight274.41 g/mol
Exact Mass274.06
IUPAC Name4-tert-butyl-5-thiophen-2-ylthieno[2,3-d]pyrimidine
SMILESCC(C)(C)c1ncnc2scc(-c3cccs3)c12
InChIInChI=1S/C14H14N2S2/c1-14(2,3)12-11-9(10-5-4-6-17-10)7-18-13(11)16-8-15-12/h4-8H,1-3H3
InChIKeyUELZRCHBSDDNFO-UHFFFAOYSA-N
XLogP4.72
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-thiophen-2-ylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-tert-butyl-5-thiophen-2-ylthieno[2,3-d]pyrimidine (CID 59774494) is 4-tert-butyl-5-thiophen-2-ylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-tert-butyl-5-thiophen-2-ylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-tert-butyl-5-thiophen-2-ylthieno[2,3-d]pyrimidine is CC(C)(C)c1ncnc2scc(-c3cccs3)c12.
What is the InChIKey of 4-tert-butyl-5-thiophen-2-ylthieno[2,3-d]pyrimidine?
The InChIKey is UELZRCHBSDDNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2S2/c1-14(2,3)12-11-9(10-5-4-6-17-10)7-18-13(11)16-8-15-12/h4-8H,1-3H3.
What are the key properties of 4-tert-butyl-5-thiophen-2-ylthieno[2,3-d]pyrimidine?
4-tert-butyl-5-thiophen-2-ylthieno[2,3-d]pyrimidine has a molecular weight of 274.41 g/mol, XLogP of 4.72, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5-thiophen-2-ylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 59774494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).