4-[2-(4-tert-butylphenyl)ethoxy]thieno[2,3-d]pyrimidine

C18H20N2OS — CID 71341854

IUPAC4-[2-(4-tert-butylphenyl)ethoxy]thieno[2,3-d]pyrimidine
SMILESCC(C)(C)c1ccc(CCOc2ncnc3sccc23)cc1
InChIInChI=1S/C18H20N2OS/c1-18(2,3)14-6-4-13(5-7-14)8-10-21-16-15-9-11-22-17(15)20-12-19-16/h4-7,9,11-12H,8,10H2,1-3H3
InChIKeyCJJQVTANUOIVHE-UHFFFAOYSA-N
MW312.44 g/mol
LogP4.61
Rot. Bonds4

About 4-[2-(4-tert-butylphenyl)ethoxy]thieno[2,3-d]pyrimidine

4-[2-(4-tert-butylphenyl)ethoxy]thieno[2,3-d]pyrimidine (PubChem CID 71341854) has the molecular formula C18H20N2OS and a molecular weight of 312.44 g/mol. Its IUPAC name is 4-[2-(4-tert-butylphenyl)ethoxy]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[2-(4-tert-butylphenyl)ethoxy]thieno[2,3-d]pyrimidine
PubChem CID71341854
Molecular FormulaC18H20N2OS
Molecular Weight312.44 g/mol
Exact Mass312.13
IUPAC Name4-[2-(4-tert-butylphenyl)ethoxy]thieno[2,3-d]pyrimidine
SMILESCC(C)(C)c1ccc(CCOc2ncnc3sccc23)cc1
InChIInChI=1S/C18H20N2OS/c1-18(2,3)14-6-4-13(5-7-14)8-10-21-16-15-9-11-22-17(15)20-12-19-16/h4-7,9,11-12H,8,10H2,1-3H3
InChIKeyCJJQVTANUOIVHE-UHFFFAOYSA-N
XLogP4.61
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-tert-butylphenyl)ethoxy]thieno[2,3-d]pyrimidine?
The IUPAC name of 4-[2-(4-tert-butylphenyl)ethoxy]thieno[2,3-d]pyrimidine (CID 71341854) is 4-[2-(4-tert-butylphenyl)ethoxy]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-[2-(4-tert-butylphenyl)ethoxy]thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-[2-(4-tert-butylphenyl)ethoxy]thieno[2,3-d]pyrimidine is CC(C)(C)c1ccc(CCOc2ncnc3sccc23)cc1.
What is the InChIKey of 4-[2-(4-tert-butylphenyl)ethoxy]thieno[2,3-d]pyrimidine?
The InChIKey is CJJQVTANUOIVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2OS/c1-18(2,3)14-6-4-13(5-7-14)8-10-21-16-15-9-11-22-17(15)20-12-19-16/h4-7,9,11-12H,8,10H2,1-3H3.
What are the key properties of 4-[2-(4-tert-butylphenyl)ethoxy]thieno[2,3-d]pyrimidine?
4-[2-(4-tert-butylphenyl)ethoxy]thieno[2,3-d]pyrimidine has a molecular weight of 312.44 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-tert-butylphenyl)ethoxy]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 71341854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).