3-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-one

C10H12N2OS — CID 800379

IUPAC3-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
SMILESCCn1cnc2sc(C)c(C)c2c1=O
InChIInChI=1S/C10H12N2OS/c1-4-12-5-11-9-8(10(12)13)6(2)7(3)14-9/h5H,4H2,1-3H3
InChIKeyKJPWMEUDDWSCTN-UHFFFAOYSA-N
MW208.29 g/mol
LogP2.09
Rot. Bonds1

About 3-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-one

3-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-one (PubChem CID 800379) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is 3-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
PubChem CID800379
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name3-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
SMILESCCn1cnc2sc(C)c(C)c2c1=O
InChIInChI=1S/C10H12N2OS/c1-4-12-5-11-9-8(10(12)13)6(2)7(3)14-9/h5H,4H2,1-3H3
InChIKeyKJPWMEUDDWSCTN-UHFFFAOYSA-N
XLogP2.09
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-ethyl-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

5,6,7,8-Tetrahydro(1)benzothieno(2,3-D)pyrimidin-4(3H)-one
CID 98614
1,5,6,7-Tetrahydro-4H-cyclopenta(4,5)thieno(2,3-d)pyrimidin-4-one
CID 203420
4H-Cyclohepta(4,5)thieno(2,3-d)pyrimidin-4-one, 1,5,6,7,8,9-hexahydro-
CID 218061
2,3,6,7,8,9-hexahydro[1]benzothieno[2,3-d]pyrrolo[1,2-a]pyrimidin-10(1H)-one
CID 733165
5,6-dimethyl-3H,4H-thieno(2,3-d)pyrimidin-4-one
CID 403053
2-Amino-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
CID 611038
ethyl 3-methyl-4-oxo-3,5,6,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidine-7(4H)-carboxylate
CID 2816749
2-Amino-6-ethyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
CID 614439
3-methyl-2-(methylsulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
CID 735496
2,5,6-trimethyl-3H,4H-thieno(2,3-d)pyrimidin-4-one
CID 857577
3-methyl-2-(methylsulfanyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
CID 2258983
5,6-dimethyl-2-(2-oxo-2-pyrrolidin-1-ylethyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 2409212

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-one (CID 800379) is 3-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-one is CCn1cnc2sc(C)c(C)c2c1=O.
What is the InChIKey of 3-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is KJPWMEUDDWSCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c1-4-12-5-11-9-8(10(12)13)6(2)7(3)14-9/h5H,4H2,1-3H3.
What are the key properties of 3-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-one?
3-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 208.29 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 800379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).