3-(ethoxymethyl)thieno[2,3-d]pyrimidin-4-one

C9H10N2O2S — CID 91660494

IUPAC3-(ethoxymethyl)thieno[2,3-d]pyrimidin-4-one
SMILESCCOCn1cnc2sccc2c1=O
InChIInChI=1S/C9H10N2O2S/c1-2-13-6-11-5-10-8-7(9(11)12)3-4-14-8/h3-5H,2,6H2,1H3
InChIKeyBAVQCFCTDNEELQ-UHFFFAOYSA-N
MW210.26 g/mol
LogP1.45
Rot. Bonds3

About 3-(ethoxymethyl)thieno[2,3-d]pyrimidin-4-one

3-(ethoxymethyl)thieno[2,3-d]pyrimidin-4-one (PubChem CID 91660494) has the molecular formula C9H10N2O2S and a molecular weight of 210.26 g/mol. Its IUPAC name is 3-(ethoxymethyl)thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(ethoxymethyl)thieno[2,3-d]pyrimidin-4-one
PubChem CID91660494
Molecular FormulaC9H10N2O2S
Molecular Weight210.26 g/mol
Exact Mass210.05
IUPAC Name3-(ethoxymethyl)thieno[2,3-d]pyrimidin-4-one
SMILESCCOCn1cnc2sccc2c1=O
InChIInChI=1S/C9H10N2O2S/c1-2-13-6-11-5-10-8-7(9(11)12)3-4-14-8/h3-5H,2,6H2,1H3
InChIKeyBAVQCFCTDNEELQ-UHFFFAOYSA-N
XLogP1.45
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethyl)thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-(ethoxymethyl)thieno[2,3-d]pyrimidin-4-one (CID 91660494) is 3-(ethoxymethyl)thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-(ethoxymethyl)thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-(ethoxymethyl)thieno[2,3-d]pyrimidin-4-one is CCOCn1cnc2sccc2c1=O.
What is the InChIKey of 3-(ethoxymethyl)thieno[2,3-d]pyrimidin-4-one?
The InChIKey is BAVQCFCTDNEELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2S/c1-2-13-6-11-5-10-8-7(9(11)12)3-4-14-8/h3-5H,2,6H2,1H3.
What are the key properties of 3-(ethoxymethyl)thieno[2,3-d]pyrimidin-4-one?
3-(ethoxymethyl)thieno[2,3-d]pyrimidin-4-one has a molecular weight of 210.26 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethyl)thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 91660494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).