2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-phenylethyl)acetamide

C18H19N3O2S — CID 733158

IUPAC2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-phenylethyl)acetamide
SMILESCc1sc2ncn(CC(=O)NCCc3ccccc3)c(=O)c2c1C
InChIInChI=1S/C18H19N3O2S/c1-12-13(2)24-17-16(12)18(23)21(11-20-17)10-15(22)19-9-8-14-6-4-3-5-7-14/h3-7,11H,8-10H2,1-2H3,(H,19,22)
InChIKeyMIGMCYVUHKIPBF-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.43
Rot. Bonds5

About 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-phenylethyl)acetamide

2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-phenylethyl)acetamide (PubChem CID 733158) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-phenylethyl)acetamide
PubChem CID733158
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-phenylethyl)acetamide
SMILESCc1sc2ncn(CC(=O)NCCc3ccccc3)c(=O)c2c1C
InChIInChI=1S/C18H19N3O2S/c1-12-13(2)24-17-16(12)18(23)21(11-20-17)10-15(22)19-9-8-14-6-4-3-5-7-14/h3-7,11H,8-10H2,1-2H3,(H,19,22)
InChIKeyMIGMCYVUHKIPBF-UHFFFAOYSA-N
XLogP2.43
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-phenylethyl)acetamide 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-phenyl-3H,4H-thieno[2,3-d]pyrimidin-4-one
CID 215639
5-(4-methylphenyl)-3H,4H-thieno(2,3-d)pyrimidin-4-one
CID 731455
5-(4-fluorophenyl)-3H,4H-thieno(2,3-d)pyrimidin-4-one
CID 727600
N-[4-(Aminomethyl)benzyl]-4-Oxo-3,4-Dihydrothieno[2,3-D]pyrimidine-5-Carboxamide
CID 71677804
5-Methyl-6-phenylthieno[2,3-d]pyrimidin-4(1H)-one
CID 673139
N-[[4-[(4-aminopiperidin-1-yl)methyl]phenyl]methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-5-carboxamide
CID 71724899
N-[(4-{[cyclohexyl(ethyl)amino]methyl}phenyl)methyl]-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide
CID 137347756
N-({4-[(octylamino)methyl]phenyl}methyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide
CID 137347757
N-({4-[(diethylamino)methyl]phenyl}methyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-5-carboxamide
CID 137347758
5-(4-Isopropyl-phenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 703939
(4-Oxo-5-p-tolyl-4H-thieno[2,3-d]pyrimidin-3-yl)-acetic acid methyl ester
CID 709170
5-(4-Ethylphenyl)thieno[2,3-d]pyrimidin-4(3H)-one
CID 724921

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-phenylethyl)acetamide (CID 733158) is 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-phenylethyl)acetamide is Cc1sc2ncn(CC(=O)NCCc3ccccc3)c(=O)c2c1C.
What is the InChIKey of 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-phenylethyl)acetamide?
The InChIKey is MIGMCYVUHKIPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-12-13(2)24-17-16(12)18(23)21(11-20-17)10-15(22)19-9-8-14-6-4-3-5-7-14/h3-7,11H,8-10H2,1-2H3,(H,19,22).
What are the key properties of 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-phenylethyl)acetamide?
2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-phenylethyl)acetamide has a molecular weight of 341.44 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 733158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).