3-(2-phenoxyethyl)-6-phenylthieno[3,2-d]pyrimidin-4-one

C20H16N2O2S — CID 51111918

IUPAC3-(2-phenoxyethyl)-6-phenylthieno[3,2-d]pyrimidin-4-one
SMILESO=c1c2sc(-c3ccccc3)cc2ncn1CCOc1ccccc1
InChIInChI=1S/C20H16N2O2S/c23-20-19-17(13-18(25-19)15-7-3-1-4-8-15)21-14-22(20)11-12-24-16-9-5-2-6-10-16/h1-10,13-14H,11-12H2
InChIKeyXTQLPPGVSDFNFA-UHFFFAOYSA-N
MW348.43 g/mol
LogP4.20
Rot. Bonds5

About 3-(2-phenoxyethyl)-6-phenylthieno[3,2-d]pyrimidin-4-one

3-(2-phenoxyethyl)-6-phenylthieno[3,2-d]pyrimidin-4-one (PubChem CID 51111918) has the molecular formula C20H16N2O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is 3-(2-phenoxyethyl)-6-phenylthieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(2-phenoxyethyl)-6-phenylthieno[3,2-d]pyrimidin-4-one
PubChem CID51111918
Molecular FormulaC20H16N2O2S
Molecular Weight348.43 g/mol
Exact Mass348.09
IUPAC Name3-(2-phenoxyethyl)-6-phenylthieno[3,2-d]pyrimidin-4-one
SMILESO=c1c2sc(-c3ccccc3)cc2ncn1CCOc1ccccc1
InChIInChI=1S/C20H16N2O2S/c23-20-19-17(13-18(25-19)15-7-3-1-4-8-15)21-14-22(20)11-12-24-16-9-5-2-6-10-16/h1-10,13-14H,11-12H2
InChIKeyXTQLPPGVSDFNFA-UHFFFAOYSA-N
XLogP4.20
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-phenoxyethyl)-6-phenylthieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-(2-phenoxyethyl)-6-phenylthieno[3,2-d]pyrimidin-4-one (CID 51111918) is 3-(2-phenoxyethyl)-6-phenylthieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-(2-phenoxyethyl)-6-phenylthieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-(2-phenoxyethyl)-6-phenylthieno[3,2-d]pyrimidin-4-one is O=c1c2sc(-c3ccccc3)cc2ncn1CCOc1ccccc1.
What is the InChIKey of 3-(2-phenoxyethyl)-6-phenylthieno[3,2-d]pyrimidin-4-one?
The InChIKey is XTQLPPGVSDFNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2S/c23-20-19-17(13-18(25-19)15-7-3-1-4-8-15)21-14-22(20)11-12-24-16-9-5-2-6-10-16/h1-10,13-14H,11-12H2.
What are the key properties of 3-(2-phenoxyethyl)-6-phenylthieno[3,2-d]pyrimidin-4-one?
3-(2-phenoxyethyl)-6-phenylthieno[3,2-d]pyrimidin-4-one has a molecular weight of 348.43 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenoxyethyl)-6-phenylthieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 51111918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).