4-phenoxythieno[2,3-d]pyrimidine

C12H8N2OS — CID 710993

IUPAC4-phenoxythieno[2,3-d]pyrimidine
SMILESc1ccc(Oc2ncnc3sccc23)cc1
InChIInChI=1S/C12H8N2OS/c1-2-4-9(5-3-1)15-11-10-6-7-16-12(10)14-8-13-11/h1-8H
InChIKeyAYOZUERHDBIGSH-UHFFFAOYSA-N
MW228.28 g/mol
LogP3.48
Rot. Bonds2

About 4-phenoxythieno[2,3-d]pyrimidine

4-phenoxythieno[2,3-d]pyrimidine (PubChem CID 710993) has the molecular formula C12H8N2OS and a molecular weight of 228.28 g/mol. Its IUPAC name is 4-phenoxythieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-phenoxythieno[2,3-d]pyrimidine
PubChem CID710993
Molecular FormulaC12H8N2OS
Molecular Weight228.28 g/mol
Exact Mass228.04
IUPAC Name4-phenoxythieno[2,3-d]pyrimidine
SMILESc1ccc(Oc2ncnc3sccc23)cc1
InChIInChI=1S/C12H8N2OS/c1-2-4-9(5-3-1)15-11-10-6-7-16-12(10)14-8-13-11/h1-8H
InChIKeyAYOZUERHDBIGSH-UHFFFAOYSA-N
XLogP3.48
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-phenoxythieno[2,3-d]pyrimidine?
The IUPAC name of 4-phenoxythieno[2,3-d]pyrimidine (CID 710993) is 4-phenoxythieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-phenoxythieno[2,3-d]pyrimidine?
The canonical SMILES for 4-phenoxythieno[2,3-d]pyrimidine is c1ccc(Oc2ncnc3sccc23)cc1.
What is the InChIKey of 4-phenoxythieno[2,3-d]pyrimidine?
The InChIKey is AYOZUERHDBIGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2OS/c1-2-4-9(5-3-1)15-11-10-6-7-16-12(10)14-8-13-11/h1-8H.
What are the key properties of 4-phenoxythieno[2,3-d]pyrimidine?
4-phenoxythieno[2,3-d]pyrimidine has a molecular weight of 228.28 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxythieno[2,3-d]pyrimidine is sourced from PubChem (CID 710993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).