5-phenyl-3-propylthieno[2,3-d]pyrimidin-4-one

C15H14N2OS — CID 731331

IUPAC5-phenyl-3-propylthieno[2,3-d]pyrimidin-4-one
SMILESCCCn1cnc2scc(-c3ccccc3)c2c1=O
InChIInChI=1S/C15H14N2OS/c1-2-8-17-10-16-14-13(15(17)18)12(9-19-14)11-6-4-3-5-7-11/h3-7,9-10H,2,8H2,1H3
InChIKeyUWWUKESWLNJBAL-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.54
Rot. Bonds3

About 5-phenyl-3-propylthieno[2,3-d]pyrimidin-4-one

5-phenyl-3-propylthieno[2,3-d]pyrimidin-4-one (PubChem CID 731331) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 5-phenyl-3-propylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-phenyl-3-propylthieno[2,3-d]pyrimidin-4-one
PubChem CID731331
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name5-phenyl-3-propylthieno[2,3-d]pyrimidin-4-one
SMILESCCCn1cnc2scc(-c3ccccc3)c2c1=O
InChIInChI=1S/C15H14N2OS/c1-2-8-17-10-16-14-13(15(17)18)12(9-19-14)11-6-4-3-5-7-11/h3-7,9-10H,2,8H2,1H3
InChIKeyUWWUKESWLNJBAL-UHFFFAOYSA-N
XLogP3.54
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-phenyl-3-propylthieno[2,3-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-methylphenyl)-3-propylthieno[2,3-d]pyrimidin-4-one
CID 709146
5-(3-nitrophenyl)-3-propylthieno[2,3-d]pyrimidin-4-one
CID 709174
2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetic acid
CID 731332
phenyl 2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)ethanesulfonate
CID 24526106
3-benzyl-5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-one
CID 724930
3-[[(1S)-2,2-dichlorocyclopropyl]methyl]-5-phenylthieno[2,3-d]pyrimidin-4-one
CID 9353564
5-(4-ethylphenyl)-3-phenacylthieno[2,3-d]pyrimidin-4-one
CID 7708377
N-(2,6-diethylphenyl)-2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 7674366
6-amino-1,3-dimethyl-5-[2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]pyrimidine-2,4-dione
CID 24564828
ethyl (2S)-2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)butanoate
CID 731327
N-(2-methylphenyl)-2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 1404117
5-(4-ethoxyphenyl)-3-phenacylthieno[2,3-d]pyrimidin-4-one
CID 7708384

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-propylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-phenyl-3-propylthieno[2,3-d]pyrimidin-4-one (CID 731331) is 5-phenyl-3-propylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-phenyl-3-propylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-phenyl-3-propylthieno[2,3-d]pyrimidin-4-one is CCCn1cnc2scc(-c3ccccc3)c2c1=O.
What is the InChIKey of 5-phenyl-3-propylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is UWWUKESWLNJBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-2-8-17-10-16-14-13(15(17)18)12(9-19-14)11-6-4-3-5-7-11/h3-7,9-10H,2,8H2,1H3.
What are the key properties of 5-phenyl-3-propylthieno[2,3-d]pyrimidin-4-one?
5-phenyl-3-propylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 270.36 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-propylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 731331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).