6-ethyl-3-(furan-2-ylmethyl)-2-(2-oxooxolan-3-yl)sulfanylthieno[2,3-d]pyrimidin-4-one

C17H16N2O4S2 — CID 4780680

IUPAC6-ethyl-3-(furan-2-ylmethyl)-2-(2-oxooxolan-3-yl)sulfanylthieno[2,3-d]pyrimidin-4-one
SMILESCCc1cc2c(=O)n(Cc3ccco3)c(SC3CCOC3=O)nc2s1
InChIInChI=1S/C17H16N2O4S2/c1-2-11-8-12-14(24-11)18-17(25-13-5-7-23-16(13)21)19(15(12)20)9-10-4-3-6-22-10/h3-4,6,8,13H,2,5,7,9H2,1H3
InChIKeyOELYSQFMLGMYBW-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.07
Rot. Bonds5

About 6-ethyl-3-(furan-2-ylmethyl)-2-(2-oxooxolan-3-yl)sulfanylthieno[2,3-d]pyrimidin-4-one

6-ethyl-3-(furan-2-ylmethyl)-2-(2-oxooxolan-3-yl)sulfanylthieno[2,3-d]pyrimidin-4-one (PubChem CID 4780680) has the molecular formula C17H16N2O4S2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 6-ethyl-3-(furan-2-ylmethyl)-2-(2-oxooxolan-3-yl)sulfanylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-ethyl-3-(furan-2-ylmethyl)-2-(2-oxooxolan-3-yl)sulfanylthieno[2,3-d]pyrimidin-4-one
PubChem CID4780680
Molecular FormulaC17H16N2O4S2
Molecular Weight376.46 g/mol
Exact Mass376.06
IUPAC Name6-ethyl-3-(furan-2-ylmethyl)-2-(2-oxooxolan-3-yl)sulfanylthieno[2,3-d]pyrimidin-4-one
SMILESCCc1cc2c(=O)n(Cc3ccco3)c(SC3CCOC3=O)nc2s1
InChIInChI=1S/C17H16N2O4S2/c1-2-11-8-12-14(24-11)18-17(25-13-5-7-23-16(13)21)19(15(12)20)9-10-4-3-6-22-10/h3-4,6,8,13H,2,5,7,9H2,1H3
InChIKeyOELYSQFMLGMYBW-UHFFFAOYSA-N
XLogP3.07
TPSA74.33 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-(furan-2-ylmethyl)-2-(2-oxooxolan-3-yl)sulfanylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-ethyl-3-(furan-2-ylmethyl)-2-(2-oxooxolan-3-yl)sulfanylthieno[2,3-d]pyrimidin-4-one (CID 4780680) is 6-ethyl-3-(furan-2-ylmethyl)-2-(2-oxooxolan-3-yl)sulfanylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-ethyl-3-(furan-2-ylmethyl)-2-(2-oxooxolan-3-yl)sulfanylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-ethyl-3-(furan-2-ylmethyl)-2-(2-oxooxolan-3-yl)sulfanylthieno[2,3-d]pyrimidin-4-one is CCc1cc2c(=O)n(Cc3ccco3)c(SC3CCOC3=O)nc2s1.
What is the InChIKey of 6-ethyl-3-(furan-2-ylmethyl)-2-(2-oxooxolan-3-yl)sulfanylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is OELYSQFMLGMYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S2/c1-2-11-8-12-14(24-11)18-17(25-13-5-7-23-16(13)21)19(15(12)20)9-10-4-3-6-22-10/h3-4,6,8,13H,2,5,7,9H2,1H3.
What are the key properties of 6-ethyl-3-(furan-2-ylmethyl)-2-(2-oxooxolan-3-yl)sulfanylthieno[2,3-d]pyrimidin-4-one?
6-ethyl-3-(furan-2-ylmethyl)-2-(2-oxooxolan-3-yl)sulfanylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 376.46 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-(furan-2-ylmethyl)-2-(2-oxooxolan-3-yl)sulfanylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 4780680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).