2-ethyl-4,5-dimethyl-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide

C21H22N4O3S — CID 51116235

About 2-ethyl-4,5-dimethyl-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide

2-ethyl-4,5-dimethyl-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 51116235) has the molecular formula C21H22N4O3S and a molecular weight of 410.50 g/mol. Its IUPAC name is 2-ethyl-4,5-dimethyl-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 2-ethyl-4,5-dimethyl-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
• PubChem CID: 51116235
• Molecular Formula: C21H22N4O3S
• Molecular Weight: 410.50 g/mol
• Exact Mass: 410.14
• IUPAC Name: 2-ethyl-4,5-dimethyl-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
• SMILES: CCc1nc(C)c2c(C)c(C(=O)Nc3cccc(CN4CCOC4=O)c3)sc2n1
• InChI: InChI=1S/C21H22N4O3S/c1-4-16-22-13(3)17-12(2)18(29-20(17)24-16)19(26)23-15-7-5-6-14(10-15)11-25-8-9-28-21(25)27/h5-7,10H,4,8-9,11H2,1-3H3,(H,23,26)
• InChIKey: VPLDIRGOUDLSQW-UHFFFAOYSA-N
• XLogP: 4.08
• TPSA: 84.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.50
LogP ≤ 5	4.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4,5-dimethyl-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide?

The IUPAC name of 2-ethyl-4,5-dimethyl-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide (CID 51116235) is 2-ethyl-4,5-dimethyl-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide.

What is the SMILES notation for 2-ethyl-4,5-dimethyl-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide?

The canonical SMILES for 2-ethyl-4,5-dimethyl-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide is CCc1nc(C)c2c(C)c(C(=O)Nc3cccc(CN4CCOC4=O)c3)sc2n1.

What is the InChIKey of 2-ethyl-4,5-dimethyl-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide?

The InChIKey is VPLDIRGOUDLSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3S/c1-4-16-22-13(3)17-12(2)18(29-20(17)24-16)19(26)23-15-7-5-6-14(10-15)11-25-8-9-28-21(25)27/h5-7,10H,4,8-9,11H2,1-3H3,(H,23,26).

What are the key properties of 2-ethyl-4,5-dimethyl-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide?

2-ethyl-4,5-dimethyl-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 410.50 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-4,5-dimethyl-N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 51116235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).