2,6-diethyl-3-(2-hydroxyethyl)thieno[2,3-d]pyrimidin-4-one

C12H16N2O2S — CID 913933

IUPAC2,6-diethyl-3-(2-hydroxyethyl)thieno[2,3-d]pyrimidin-4-one
SMILESCCc1cc2c(=O)n(CCO)c(CC)nc2s1
InChIInChI=1S/C12H16N2O2S/c1-3-8-7-9-11(17-8)13-10(4-2)14(5-6-15)12(9)16/h7,15H,3-6H2,1-2H3
InChIKeyODNJKWPRAKZKCJ-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.58
Rot. Bonds4

About 2,6-diethyl-3-(2-hydroxyethyl)thieno[2,3-d]pyrimidin-4-one

2,6-diethyl-3-(2-hydroxyethyl)thieno[2,3-d]pyrimidin-4-one (PubChem CID 913933) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 2,6-diethyl-3-(2-hydroxyethyl)thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2,6-diethyl-3-(2-hydroxyethyl)thieno[2,3-d]pyrimidin-4-one
PubChem CID913933
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC Name2,6-diethyl-3-(2-hydroxyethyl)thieno[2,3-d]pyrimidin-4-one
SMILESCCc1cc2c(=O)n(CCO)c(CC)nc2s1
InChIInChI=1S/C12H16N2O2S/c1-3-8-7-9-11(17-8)13-10(4-2)14(5-6-15)12(9)16/h7,15H,3-6H2,1-2H3
InChIKeyODNJKWPRAKZKCJ-UHFFFAOYSA-N
XLogP1.58
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-diethyl-3-(2-hydroxyethyl)thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2,6-diethyl-3-(2-hydroxyethyl)thieno[2,3-d]pyrimidin-4-one (CID 913933) is 2,6-diethyl-3-(2-hydroxyethyl)thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2,6-diethyl-3-(2-hydroxyethyl)thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2,6-diethyl-3-(2-hydroxyethyl)thieno[2,3-d]pyrimidin-4-one is CCc1cc2c(=O)n(CCO)c(CC)nc2s1.
What is the InChIKey of 2,6-diethyl-3-(2-hydroxyethyl)thieno[2,3-d]pyrimidin-4-one?
The InChIKey is ODNJKWPRAKZKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-3-8-7-9-11(17-8)13-10(4-2)14(5-6-15)12(9)16/h7,15H,3-6H2,1-2H3.
What are the key properties of 2,6-diethyl-3-(2-hydroxyethyl)thieno[2,3-d]pyrimidin-4-one?
2,6-diethyl-3-(2-hydroxyethyl)thieno[2,3-d]pyrimidin-4-one has a molecular weight of 252.34 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diethyl-3-(2-hydroxyethyl)thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 913933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).