ethyl 5-methyl-4-oxo-2-[(1S)-1-(pyrazine-2-carbonyloxy)ethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate

C17H16N4O5S — CID 7648059

About ethyl 5-methyl-4-oxo-2-[(1S)-1-(pyrazine-2-carbonyloxy)ethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate

ethyl 5-methyl-4-oxo-2-[(1S)-1-(pyrazine-2-carbonyloxy)ethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate (PubChem CID 7648059) has the molecular formula C17H16N4O5S and a molecular weight of 388.41 g/mol. Its IUPAC name is ethyl 5-methyl-4-oxo-2-[(1S)-1-(pyrazine-2-carbonyloxy)ethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

• Compound Name: ethyl 5-methyl-4-oxo-2-[(1S)-1-(pyrazine-2-carbonyloxy)ethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate
• PubChem CID: 7648059
• Molecular Formula: C17H16N4O5S
• Molecular Weight: 388.41 g/mol
• Exact Mass: 388.08
• IUPAC Name: ethyl 5-methyl-4-oxo-2-[(1S)-1-(pyrazine-2-carbonyloxy)ethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate
• SMILES: CCOC(=O)c1sc2nc([C@H](C)OC(=O)c3cnccn3)[nH]c(=O)c2c1C
• InChI: InChI=1S/C17H16N4O5S/c1-4-25-17(24)12-8(2)11-14(22)20-13(21-15(11)27-12)9(3)26-16(23)10-7-18-5-6-19-10/h5-7,9H,4H2,1-3H3,(H,20,21,22)/t9-/m0/s1
• InChIKey: DNYKYSHMPAJJEL-VIFPVBQESA-N
• XLogP: 2.18
• TPSA: 124.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.41
LogP ≤ 5	2.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-4-oxo-2-[(1S)-1-(pyrazine-2-carbonyloxy)ethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate?

The IUPAC name of ethyl 5-methyl-4-oxo-2-[(1S)-1-(pyrazine-2-carbonyloxy)ethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate (CID 7648059) is ethyl 5-methyl-4-oxo-2-[(1S)-1-(pyrazine-2-carbonyloxy)ethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate.

What is the SMILES notation for ethyl 5-methyl-4-oxo-2-[(1S)-1-(pyrazine-2-carbonyloxy)ethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate?

The canonical SMILES for ethyl 5-methyl-4-oxo-2-[(1S)-1-(pyrazine-2-carbonyloxy)ethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate is CCOC(=O)c1sc2nc([C@H](C)OC(=O)c3cnccn3)[nH]c(=O)c2c1C.

What is the InChIKey of ethyl 5-methyl-4-oxo-2-[(1S)-1-(pyrazine-2-carbonyloxy)ethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate?

The InChIKey is DNYKYSHMPAJJEL-VIFPVBQESA-N. The full InChI is InChI=1S/C17H16N4O5S/c1-4-25-17(24)12-8(2)11-14(22)20-13(21-15(11)27-12)9(3)26-16(23)10-7-18-5-6-19-10/h5-7,9H,4H2,1-3H3,(H,20,21,22)/t9-/m0/s1.

What are the key properties of ethyl 5-methyl-4-oxo-2-[(1S)-1-(pyrazine-2-carbonyloxy)ethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate?

ethyl 5-methyl-4-oxo-2-[(1S)-1-(pyrazine-2-carbonyloxy)ethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 388.41 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 5-methyl-4-oxo-2-[(1S)-1-(pyrazine-2-carbonyloxy)ethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 7648059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).