(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate

C20H20N2O3S2 — CID 9380295

About (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate

(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate (PubChem CID 9380295) has the molecular formula C20H20N2O3S2 and a molecular weight of 400.53 g/mol. Its IUPAC name is (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate.

Molecular Properties

• Compound Name: (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate
• PubChem CID: 9380295
• Molecular Formula: C20H20N2O3S2
• Molecular Weight: 400.53 g/mol
• Exact Mass: 400.09
• IUPAC Name: (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate
• SMILES: Cc1sc2nc(COC(=O)CSc3ccc4c(c3)CCC4)[nH]c(=O)c2c1C
• InChI: InChI=1S/C20H20N2O3S2/c1-11-12(2)27-20-18(11)19(24)21-16(22-20)9-25-17(23)10-26-15-7-6-13-4-3-5-14(13)8-15/h6-8H,3-5,9-10H2,1-2H3,(H,21,22,24)
• InChIKey: PWYKEIJHZJNPGU-UHFFFAOYSA-N
• XLogP: 3.93
• TPSA: 72.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.53
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate?

The IUPAC name of (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate (CID 9380295) is (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate.

What is the SMILES notation for (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate?

The canonical SMILES for (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate is Cc1sc2nc(COC(=O)CSc3ccc4c(c3)CCC4)[nH]c(=O)c2c1C.

What is the InChIKey of (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate?

The InChIKey is PWYKEIJHZJNPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S2/c1-11-12(2)27-20-18(11)19(24)21-16(22-20)9-25-17(23)10-26-15-7-6-13-4-3-5-14(13)8-15/h6-8H,3-5,9-10H2,1-2H3,(H,21,22,24).

What are the key properties of (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate?

(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate has a molecular weight of 400.53 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetate is sourced from PubChem (CID 9380295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).