6-phenyl-3-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-one

C21H18N2OS — CID 725323

IUPAC6-phenyl-3-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-one
SMILESO=c1c2cc(-c3ccccc3)sc2ncn1CCCc1ccccc1
InChIInChI=1S/C21H18N2OS/c24-21-18-14-19(17-11-5-2-6-12-17)25-20(18)22-15-23(21)13-7-10-16-8-3-1-4-9-16/h1-6,8-9,11-12,14-15H,7,10,13H2
InChIKeyPSEOBJPEBJQLJE-UHFFFAOYSA-N
MW346.46 g/mol
LogP4.76
Rot. Bonds5

About 6-phenyl-3-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-one

6-phenyl-3-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-one (PubChem CID 725323) has the molecular formula C21H18N2OS and a molecular weight of 346.46 g/mol. Its IUPAC name is 6-phenyl-3-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-phenyl-3-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-one
PubChem CID725323
Molecular FormulaC21H18N2OS
Molecular Weight346.46 g/mol
Exact Mass346.11
IUPAC Name6-phenyl-3-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-one
SMILESO=c1c2cc(-c3ccccc3)sc2ncn1CCCc1ccccc1
InChIInChI=1S/C21H18N2OS/c24-21-18-14-19(17-11-5-2-6-12-17)25-20(18)22-15-23(21)13-7-10-16-8-3-1-4-9-16/h1-6,8-9,11-12,14-15H,7,10,13H2
InChIKeyPSEOBJPEBJQLJE-UHFFFAOYSA-N
XLogP4.76
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-phenyl-3-(3-phenylpropyl)thieno[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

2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(2-phenylethyl)acetamide
CID 1193249
3-methyl-6-phenylthieno[2,3-d]pyrimidin-4-one
CID 948701
3-[(4-methoxyphenyl)methyl]-6-phenylthieno[2,3-d]pyrimidin-4-one
CID 16577259
3-[2-(1-benzofuran-2-yl)-2-oxoethyl]-6-phenylthieno[2,3-d]pyrimidin-4-one
CID 1412322
3-[2-(3,4-dimethylphenyl)-2-oxoethyl]-6-phenylthieno[2,3-d]pyrimidin-4-one
CID 27238858
6-amino-1,3-dimethyl-5-[2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]pyrimidine-2,4-dione
CID 24584592
butyl 2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetate
CID 7671833
3-[2-(1-adamantyl)-2-oxoethyl]-6-phenylthieno[2,3-d]pyrimidin-4-one
CID 7886214
2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(1-phenylethyl)acetamide
CID 4117193
N-cyclopentyl-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 7630192
N-cycloheptyl-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 7886203
N-[4-[2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetyl]phenyl]propanamide
CID 7630229

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-3-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-phenyl-3-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-one (CID 725323) is 6-phenyl-3-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-phenyl-3-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-phenyl-3-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-one is O=c1c2cc(-c3ccccc3)sc2ncn1CCCc1ccccc1.
What is the InChIKey of 6-phenyl-3-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-one?
The InChIKey is PSEOBJPEBJQLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2OS/c24-21-18-14-19(17-11-5-2-6-12-17)25-20(18)22-15-23(21)13-7-10-16-8-3-1-4-9-16/h1-6,8-9,11-12,14-15H,7,10,13H2.
What are the key properties of 6-phenyl-3-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-one?
6-phenyl-3-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-one has a molecular weight of 346.46 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-3-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 725323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).