3-[(E)-(4-methoxyphenyl)methylideneamino]-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-one

C17H17N3O2S — CID 6874813

IUPAC3-[(E)-(4-methoxyphenyl)methylideneamino]-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-one
SMILESCOc1ccc(/C=N/n2c(C)nc3sc(C)c(C)c3c2=O)cc1
InChIInChI=1S/C17H17N3O2S/c1-10-11(2)23-16-15(10)17(21)20(12(3)19-16)18-9-13-5-7-14(22-4)8-6-13/h5-9H,1-4H3/b18-9+
InChIKeyJMZMJBBPWXKWGY-GIJQJNRQSA-N
MW327.41 g/mol
LogP3.27
Rot. Bonds3

About 3-[(E)-(4-methoxyphenyl)methylideneamino]-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-one

3-[(E)-(4-methoxyphenyl)methylideneamino]-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-one (PubChem CID 6874813) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is 3-[(E)-(4-methoxyphenyl)methylideneamino]-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(E)-(4-methoxyphenyl)methylideneamino]-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-one
PubChem CID6874813
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name3-[(E)-(4-methoxyphenyl)methylideneamino]-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-one
SMILESCOc1ccc(/C=N/n2c(C)nc3sc(C)c(C)c3c2=O)cc1
InChIInChI=1S/C17H17N3O2S/c1-10-11(2)23-16-15(10)17(21)20(12(3)19-16)18-9-13-5-7-14(22-4)8-6-13/h5-9H,1-4H3/b18-9+
InChIKeyJMZMJBBPWXKWGY-GIJQJNRQSA-N
XLogP3.27
TPSA56.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-[(E)-(4-methoxyphenyl)methylideneamino]-2,5,6-trimethylthieno[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-Methoxy-phenyl)-3-propyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 709188
3-Allyl-5-(4-methoxy-phenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 709192
3-benzyl-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4(3H)-one
CID 2077545
2-(4-methoxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
CID 775010
2-(3-Methoxyphenyl)-3,5,6,7,8,9-hexahydrocyclohepta[2,3]thieno[2,4-b]pyrimidin-4-one
CID 4637398
2-(4-methoxyphenyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
CID 11702125
N-[(3-methoxyphenyl)methyl]-5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidine-2-carboxamide
CID 59652158
2-(3-methoxyphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
CID 723220
ethyl 2-(4-methoxyphenyl)-11-oxo-9,10-dihydro-3H,11H-pyrido[4'',3'':4',5']thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazine-8(7H)-carboxylate
CID 2816656
5-Methyl-2-(2-propoxy-phenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 10828080
2-(2-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 44388828
3-[(3-ethoxy-4-hydroxybenzylidene)amino]-2,5,6-trimethylthieno[2,3-d]pyrimidin-4(3H)-one
CID 135425459

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-(4-methoxyphenyl)methylideneamino]-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-[(E)-(4-methoxyphenyl)methylideneamino]-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-one (CID 6874813) is 3-[(E)-(4-methoxyphenyl)methylideneamino]-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-[(E)-(4-methoxyphenyl)methylideneamino]-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-[(E)-(4-methoxyphenyl)methylideneamino]-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-one is COc1ccc(/C=N/n2c(C)nc3sc(C)c(C)c3c2=O)cc1.
What is the InChIKey of 3-[(E)-(4-methoxyphenyl)methylideneamino]-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is JMZMJBBPWXKWGY-GIJQJNRQSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-10-11(2)23-16-15(10)17(21)20(12(3)19-16)18-9-13-5-7-14(22-4)8-6-13/h5-9H,1-4H3/b18-9+.
What are the key properties of 3-[(E)-(4-methoxyphenyl)methylideneamino]-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-one?
3-[(E)-(4-methoxyphenyl)methylideneamino]-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 327.41 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-(4-methoxyphenyl)methylideneamino]-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 6874813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).