6-ethyl-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one

C19H19N3O2S — CID 8003928

About 6-ethyl-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one

6-ethyl-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one (PubChem CID 8003928) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 6-ethyl-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 6-ethyl-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one
• PubChem CID: 8003928
• Molecular Formula: C19H19N3O2S
• Molecular Weight: 353.45 g/mol
• Exact Mass: 353.12
• IUPAC Name: 6-ethyl-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one
• SMILES: CCc1cc2c(=O)n(CC(=O)N3c4ccccc4C[C@@H]3C)cnc2s1
• InChI: InChI=1S/C19H19N3O2S/c1-3-14-9-15-18(25-14)20-11-21(19(15)24)10-17(23)22-12(2)8-13-6-4-5-7-16(13)22/h4-7,9,11-12H,3,8,10H2,1-2H3/t12-/m0/s1
• InChIKey: DTKHJZOTOKJVLD-LBPRGKRZSA-N
• XLogP: 3.00
• TPSA: 55.20 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	353.45
LogP ≤ 5	3.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one?

The IUPAC name of 6-ethyl-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one (CID 8003928) is 6-ethyl-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one.

What is the SMILES notation for 6-ethyl-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one?

The canonical SMILES for 6-ethyl-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one is CCc1cc2c(=O)n(CC(=O)N3c4ccccc4C[C@@H]3C)cnc2s1.

What is the InChIKey of 6-ethyl-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one?

The InChIKey is DTKHJZOTOKJVLD-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-3-14-9-15-18(25-14)20-11-21(19(15)24)10-17(23)22-12(2)8-13-6-4-5-7-16(13)22/h4-7,9,11-12H,3,8,10H2,1-2H3/t12-/m0/s1.

What are the key properties of 6-ethyl-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one?

6-ethyl-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one has a molecular weight of 353.45 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-ethyl-3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 8003928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).