2-(2-propoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one

C15H14N2O2S — CID 135513834

IUPAC2-(2-propoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCCCOc1ccccc1-c1nc2ccsc2c(=O)[nH]1
InChIInChI=1S/C15H14N2O2S/c1-2-8-19-12-6-4-3-5-10(12)14-16-11-7-9-20-13(11)15(18)17-14/h3-7,9H,2,8H2,1H3,(H,16,17,18)
InChIKeyKLYGYIPIIYFVHF-UHFFFAOYSA-N
MW286.36 g/mol
LogP3.44
Rot. Bonds4

About 2-(2-propoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one

2-(2-propoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 135513834) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 2-(2-propoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2-propoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID135513834
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name2-(2-propoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCCCOc1ccccc1-c1nc2ccsc2c(=O)[nH]1
InChIInChI=1S/C15H14N2O2S/c1-2-8-19-12-6-4-3-5-10(12)14-16-11-7-9-20-13(11)15(18)17-14/h3-7,9H,2,8H2,1H3,(H,16,17,18)
InChIKeyKLYGYIPIIYFVHF-UHFFFAOYSA-N
XLogP3.44
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-propoxyphenyl)-3H-thieno[3,2-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-ethoxyphenyl)-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 2556334
7-Methyl-2-(2-propoxy-phenyl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 135433867
2-(2-Propoxyphenyl)thieno[2,3-d]pyrimidin-4(3H)-one
CID 10636956
3,4-Dihydro-N-[(3-methoxyphenyl)methyl]-4-oxothieno[3,2-d]pyrimidine-2-carboxamide
CID 136379658
N-[2-(2-methoxyphenyl)-4-oxoquinazolin-3-yl]thiophene-2-carboxamide
CID 1419951
5-Methyl-2-(2-propoxy-phenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 10828080
2-(4-methoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 136132244
12-[(4-Ethoxyphenyl)methyl]-4-thia-1,8,12-triazatricyclo[7.5.0.03,7]tetradeca-3(7),5,8-trien-2-one
CID 92430734
12-[(2-Ethoxyphenyl)methyl]-4-thia-1,8,12-triazatricyclo[7.5.0.03,7]tetradeca-3(7),5,8-trien-2-one
CID 92587637
2-(4-ethylphenoxy)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide
CID 135857864
4-butoxy-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]benzamide
CID 135857875
N-methyl-2-(2-methylphenoxy)-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]acetamide
CID 135857903

Frequently Asked Questions

What is the IUPAC name of 2-(2-propoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-(2-propoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one (CID 135513834) is 2-(2-propoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-(2-propoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-(2-propoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one is CCCOc1ccccc1-c1nc2ccsc2c(=O)[nH]1.
What is the InChIKey of 2-(2-propoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is KLYGYIPIIYFVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-2-8-19-12-6-4-3-5-10(12)14-16-11-7-9-20-13(11)15(18)17-14/h3-7,9H,2,8H2,1H3,(H,16,17,18).
What are the key properties of 2-(2-propoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one?
2-(2-propoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 286.36 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135513834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).