3-(4-ethoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-one

C16H16N2O2S — CID 764206

IUPAC3-(4-ethoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
SMILESCCOc1ccc(-n2cnc3sc(C)c(C)c3c2=O)cc1
InChIInChI=1S/C16H16N2O2S/c1-4-20-13-7-5-12(6-8-13)18-9-17-15-14(16(18)19)10(2)11(3)21-15/h5-9H,4H2,1-3H3
InChIKeyLUOPFIVRNBGHRI-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.46
Rot. Bonds3

About 3-(4-ethoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-one

3-(4-ethoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-one (PubChem CID 764206) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
PubChem CID764206
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC Name3-(4-ethoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
SMILESCCOc1ccc(-n2cnc3sc(C)c(C)c3c2=O)cc1
InChIInChI=1S/C16H16N2O2S/c1-4-20-13-7-5-12(6-8-13)18-9-17-15-14(16(18)19)10(2)11(3)21-15/h5-9H,4H2,1-3H3
InChIKeyLUOPFIVRNBGHRI-UHFFFAOYSA-N
XLogP3.46
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(4-ethoxyphenyl)-5,6-dimethylthieno[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

Necrostatin-5
CID 1913406
2-({3-ethyl-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-(4-methoxyphenyl)acetamide
CID 6624353
4-[2-[4-(2-Methoxyphenyl)piperazin-1-yl]ethyl]-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
CID 9872238
3-(3-methoxyphenyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
CID 899013
{[3-(4-Ethoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetic acid
CID 1234022
N-(2-ethoxyphenyl)-N,3-dimethyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide
CID 16017768
11-Methyl-4-[2-[4-(2-phenoxyphenyl)piperazin-1-yl]ethyl]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
CID 44405574
11-Methyl-4-[2-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]ethyl]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
CID 44405586
4-[2-[4-[2-(2,2-Dimethylpropoxy)phenyl]piperazin-1-yl]ethyl]-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
CID 44405587
5-(4-Methoxyphenyl)-3-propylthieno[2,3-d]pyrimidin-4-one
CID 709188
3-(4-Ethoxyphenyl)-2-thiophen-2-ylquinazolin-4-one
CID 724262
3-ethyl-N-(2-methoxyphenyl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 725312

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-(4-ethoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-one (CID 764206) is 3-(4-ethoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-(4-ethoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-(4-ethoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-one is CCOc1ccc(-n2cnc3sc(C)c(C)c3c2=O)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is LUOPFIVRNBGHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-4-20-13-7-5-12(6-8-13)18-9-17-15-14(16(18)19)10(2)11(3)21-15/h5-9H,4H2,1-3H3.
What are the key properties of 3-(4-ethoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-one?
3-(4-ethoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 300.38 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 764206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).