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

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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).