3-(2-methoxyethyl)-6-methylthieno[2,3-d]pyrimidin-4-one

C10H12N2O2S — CID 39760848

IUPAC3-(2-methoxyethyl)-6-methylthieno[2,3-d]pyrimidin-4-one
SMILESCOCCn1cnc2sc(C)cc2c1=O
InChIInChI=1S/C10H12N2O2S/c1-7-5-8-9(15-7)11-6-12(10(8)13)3-4-14-2/h5-6H,3-4H2,1-2H3
InChIKeyKBAIDMVUWZZGLF-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.41
Rot. Bonds3

About 3-(2-methoxyethyl)-6-methylthieno[2,3-d]pyrimidin-4-one

3-(2-methoxyethyl)-6-methylthieno[2,3-d]pyrimidin-4-one (PubChem CID 39760848) has the molecular formula C10H12N2O2S and a molecular weight of 224.28 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-6-methylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(2-methoxyethyl)-6-methylthieno[2,3-d]pyrimidin-4-one
PubChem CID39760848
Molecular FormulaC10H12N2O2S
Molecular Weight224.28 g/mol
Exact Mass224.06
IUPAC Name3-(2-methoxyethyl)-6-methylthieno[2,3-d]pyrimidin-4-one
SMILESCOCCn1cnc2sc(C)cc2c1=O
InChIInChI=1S/C10H12N2O2S/c1-7-5-8-9(15-7)11-6-12(10(8)13)3-4-14-2/h5-6H,3-4H2,1-2H3
InChIKeyKBAIDMVUWZZGLF-UHFFFAOYSA-N
XLogP1.41
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-6-methylthieno[2,3-d]pyrimidin-4-one
CID 118280400
6-methyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one
CID 144895692
3-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-one
CID 39826511
3-[(2-bromo-4-methyl-1,3-thiazol-5-yl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-one
CID 166301450
6-methyl-3-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-one
CID 84592320
3-ethenyl-6-methylthieno[2,3-d]pyrimidin-4-one
CID 118286876
6-methyl-3-(piperidin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-one
CID 82147197
1-[3-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 82033808
3-(2-methoxyethyl)pyrido[4,3-d]pyrimidin-4-one
CID 39817833
3-(2-methoxyethyl)-6-propan-2-ylpyrido[2,3-d]pyrimidin-4-one
CID 155019791
3-[[3-[(1S)-1-methoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-6-methylthieno[2,3-d]pyrimidin-4-one
CID 97072951
3-[[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-methylthieno[2,3-d]pyrimidin-4-one
CID 75434110

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-6-methylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-(2-methoxyethyl)-6-methylthieno[2,3-d]pyrimidin-4-one (CID 39760848) is 3-(2-methoxyethyl)-6-methylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-(2-methoxyethyl)-6-methylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-(2-methoxyethyl)-6-methylthieno[2,3-d]pyrimidin-4-one is COCCn1cnc2sc(C)cc2c1=O.
What is the InChIKey of 3-(2-methoxyethyl)-6-methylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is KBAIDMVUWZZGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c1-7-5-8-9(15-7)11-6-12(10(8)13)3-4-14-2/h5-6H,3-4H2,1-2H3.
What are the key properties of 3-(2-methoxyethyl)-6-methylthieno[2,3-d]pyrimidin-4-one?
3-(2-methoxyethyl)-6-methylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 224.28 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-6-methylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 39760848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).