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

C13H10N2OS — CID 710974

IUPAC4-(2-methylphenoxy)thieno[2,3-d]pyrimidine
SMILESCc1ccccc1Oc1ncnc2sccc12
InChIInChI=1S/C13H10N2OS/c1-9-4-2-3-5-11(9)16-12-10-6-7-17-13(10)15-8-14-12/h2-8H,1H3
InChIKeyUVLLVTZTKIDMKA-UHFFFAOYSA-N
MW242.30 g/mol
LogP3.79
Rot. Bonds2

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

4-(2-methylphenoxy)thieno[2,3-d]pyrimidine (PubChem CID 710974) has the molecular formula C13H10N2OS and a molecular weight of 242.30 g/mol. Its IUPAC name is 4-(2-methylphenoxy)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(2-methylphenoxy)thieno[2,3-d]pyrimidine
PubChem CID710974
Molecular FormulaC13H10N2OS
Molecular Weight242.30 g/mol
Exact Mass242.05
IUPAC Name4-(2-methylphenoxy)thieno[2,3-d]pyrimidine
SMILESCc1ccccc1Oc1ncnc2sccc12
InChIInChI=1S/C13H10N2OS/c1-9-4-2-3-5-11(9)16-12-10-6-7-17-13(10)15-8-14-12/h2-8H,1H3
InChIKeyUVLLVTZTKIDMKA-UHFFFAOYSA-N
XLogP3.79
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenoxy)thieno[2,3-d]pyrimidine?
The IUPAC name of 4-(2-methylphenoxy)thieno[2,3-d]pyrimidine (CID 710974) is 4-(2-methylphenoxy)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(2-methylphenoxy)thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(2-methylphenoxy)thieno[2,3-d]pyrimidine is Cc1ccccc1Oc1ncnc2sccc12.
What is the InChIKey of 4-(2-methylphenoxy)thieno[2,3-d]pyrimidine?
The InChIKey is UVLLVTZTKIDMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS/c1-9-4-2-3-5-11(9)16-12-10-6-7-17-13(10)15-8-14-12/h2-8H,1H3.
What are the key properties of 4-(2-methylphenoxy)thieno[2,3-d]pyrimidine?
4-(2-methylphenoxy)thieno[2,3-d]pyrimidine has a molecular weight of 242.30 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenoxy)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 710974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).