4-(4-methoxyphenoxy)thieno[2,3-d]pyrimidine

C13H10N2O2S — CID 2457327

IUPAC4-(4-methoxyphenoxy)thieno[2,3-d]pyrimidine
SMILESCOc1ccc(Oc2ncnc3sccc23)cc1
InChIInChI=1S/C13H10N2O2S/c1-16-9-2-4-10(5-3-9)17-12-11-6-7-18-13(11)15-8-14-12/h2-8H,1H3
InChIKeyMNDDVBIFDWGLNJ-UHFFFAOYSA-N
MW258.30 g/mol
LogP3.49
Rot. Bonds3

About 4-(4-methoxyphenoxy)thieno[2,3-d]pyrimidine

4-(4-methoxyphenoxy)thieno[2,3-d]pyrimidine (PubChem CID 2457327) has the molecular formula C13H10N2O2S and a molecular weight of 258.30 g/mol. Its IUPAC name is 4-(4-methoxyphenoxy)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(4-methoxyphenoxy)thieno[2,3-d]pyrimidine
PubChem CID2457327
Molecular FormulaC13H10N2O2S
Molecular Weight258.30 g/mol
Exact Mass258.05
IUPAC Name4-(4-methoxyphenoxy)thieno[2,3-d]pyrimidine
SMILESCOc1ccc(Oc2ncnc3sccc23)cc1
InChIInChI=1S/C13H10N2O2S/c1-16-9-2-4-10(5-3-9)17-12-11-6-7-18-13(11)15-8-14-12/h2-8H,1H3
InChIKeyMNDDVBIFDWGLNJ-UHFFFAOYSA-N
XLogP3.49
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenoxy)thieno[2,3-d]pyrimidine?
The IUPAC name of 4-(4-methoxyphenoxy)thieno[2,3-d]pyrimidine (CID 2457327) is 4-(4-methoxyphenoxy)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(4-methoxyphenoxy)thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(4-methoxyphenoxy)thieno[2,3-d]pyrimidine is COc1ccc(Oc2ncnc3sccc23)cc1.
What is the InChIKey of 4-(4-methoxyphenoxy)thieno[2,3-d]pyrimidine?
The InChIKey is MNDDVBIFDWGLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2S/c1-16-9-2-4-10(5-3-9)17-12-11-6-7-18-13(11)15-8-14-12/h2-8H,1H3.
What are the key properties of 4-(4-methoxyphenoxy)thieno[2,3-d]pyrimidine?
4-(4-methoxyphenoxy)thieno[2,3-d]pyrimidine has a molecular weight of 258.30 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenoxy)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 2457327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).