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

C15H12N2O2S — CID 731274

IUPAC3-(2-oxopropyl)-6-phenylthieno[2,3-d]pyrimidin-4-one
SMILESCC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O
InChIInChI=1S/C15H12N2O2S/c1-10(18)8-17-9-16-14-12(15(17)19)7-13(20-14)11-5-3-2-4-6-11/h2-7,9H,8H2,1H3
InChIKeyXFUUWSGZPKGQTB-UHFFFAOYSA-N
MW284.34 g/mol
LogP2.71
Rot. Bonds3

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

3-(2-oxopropyl)-6-phenylthieno[2,3-d]pyrimidin-4-one (PubChem CID 731274) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is 3-(2-oxopropyl)-6-phenylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(2-oxopropyl)-6-phenylthieno[2,3-d]pyrimidin-4-one
PubChem CID731274
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC Name3-(2-oxopropyl)-6-phenylthieno[2,3-d]pyrimidin-4-one
SMILESCC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O
InChIInChI=1S/C15H12N2O2S/c1-10(18)8-17-9-16-14-12(15(17)19)7-13(20-14)11-5-3-2-4-6-11/h2-7,9H,8H2,1H3
InChIKeyXFUUWSGZPKGQTB-UHFFFAOYSA-N
XLogP2.71
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-oxopropyl)-6-phenylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-(2-oxopropyl)-6-phenylthieno[2,3-d]pyrimidin-4-one (CID 731274) is 3-(2-oxopropyl)-6-phenylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-(2-oxopropyl)-6-phenylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-(2-oxopropyl)-6-phenylthieno[2,3-d]pyrimidin-4-one is CC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O.
What is the InChIKey of 3-(2-oxopropyl)-6-phenylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is XFUUWSGZPKGQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c1-10(18)8-17-9-16-14-12(15(17)19)7-13(20-14)11-5-3-2-4-6-11/h2-7,9H,8H2,1H3.
What are the key properties of 3-(2-oxopropyl)-6-phenylthieno[2,3-d]pyrimidin-4-one?
3-(2-oxopropyl)-6-phenylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 284.34 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxopropyl)-6-phenylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 731274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).