3,7-diphenylthieno[3,2-d]pyrimidin-4-one

C18H12N2OS — CID 78324865

IUPAC3,7-diphenylthieno[3,2-d]pyrimidin-4-one
SMILESO=c1c2scc(-c3ccccc3)c2ncn1-c1ccccc1
InChIInChI=1S/C18H12N2OS/c21-18-17-16(15(11-22-17)13-7-3-1-4-8-13)19-12-20(18)14-9-5-2-6-10-14/h1-12H
InChIKeyVTNQFOWREHQZPP-UHFFFAOYSA-N
MW304.37 g/mol
LogP4.11
Rot. Bonds2

About 3,7-diphenylthieno[3,2-d]pyrimidin-4-one

3,7-diphenylthieno[3,2-d]pyrimidin-4-one (PubChem CID 78324865) has the molecular formula C18H12N2OS and a molecular weight of 304.37 g/mol. Its IUPAC name is 3,7-diphenylthieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3,7-diphenylthieno[3,2-d]pyrimidin-4-one
PubChem CID78324865
Molecular FormulaC18H12N2OS
Molecular Weight304.37 g/mol
Exact Mass304.07
IUPAC Name3,7-diphenylthieno[3,2-d]pyrimidin-4-one
SMILESO=c1c2scc(-c3ccccc3)c2ncn1-c1ccccc1
InChIInChI=1S/C18H12N2OS/c21-18-17-16(15(11-22-17)13-7-3-1-4-8-13)19-12-20(18)14-9-5-2-6-10-14/h1-12H
InChIKeyVTNQFOWREHQZPP-UHFFFAOYSA-N
XLogP4.11
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,7-diphenylthieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3,7-diphenylthieno[3,2-d]pyrimidin-4-one (CID 78324865) is 3,7-diphenylthieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3,7-diphenylthieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3,7-diphenylthieno[3,2-d]pyrimidin-4-one is O=c1c2scc(-c3ccccc3)c2ncn1-c1ccccc1.
What is the InChIKey of 3,7-diphenylthieno[3,2-d]pyrimidin-4-one?
The InChIKey is VTNQFOWREHQZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2OS/c21-18-17-16(15(11-22-17)13-7-3-1-4-8-13)19-12-20(18)14-9-5-2-6-10-14/h1-12H.
What are the key properties of 3,7-diphenylthieno[3,2-d]pyrimidin-4-one?
3,7-diphenylthieno[3,2-d]pyrimidin-4-one has a molecular weight of 304.37 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-diphenylthieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 78324865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).