2-methoxy-3-methylthieno[2,3-d]pyrimidin-4-one

C8H8N2O2S — CID 18738539

IUPAC2-methoxy-3-methylthieno[2,3-d]pyrimidin-4-one
SMILESCOc1nc2sccc2c(=O)n1C
InChIInChI=1S/C8H8N2O2S/c1-10-7(11)5-3-4-13-6(5)9-8(10)12-2/h3-4H,1-2H3
InChIKeyCAXHRITYBKGTLI-UHFFFAOYSA-N
MW196.23 g/mol
LogP1.00
Rot. Bonds1

About 2-methoxy-3-methylthieno[2,3-d]pyrimidin-4-one

2-methoxy-3-methylthieno[2,3-d]pyrimidin-4-one (PubChem CID 18738539) has the molecular formula C8H8N2O2S and a molecular weight of 196.23 g/mol. Its IUPAC name is 2-methoxy-3-methylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-methoxy-3-methylthieno[2,3-d]pyrimidin-4-one
PubChem CID18738539
Molecular FormulaC8H8N2O2S
Molecular Weight196.23 g/mol
Exact Mass196.03
IUPAC Name2-methoxy-3-methylthieno[2,3-d]pyrimidin-4-one
SMILESCOc1nc2sccc2c(=O)n1C
InChIInChI=1S/C8H8N2O2S/c1-10-7(11)5-3-4-13-6(5)9-8(10)12-2/h3-4H,1-2H3
InChIKeyCAXHRITYBKGTLI-UHFFFAOYSA-N
XLogP1.00
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-methylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-methoxy-3-methylthieno[2,3-d]pyrimidin-4-one (CID 18738539) is 2-methoxy-3-methylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-methoxy-3-methylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-methoxy-3-methylthieno[2,3-d]pyrimidin-4-one is COc1nc2sccc2c(=O)n1C.
What is the InChIKey of 2-methoxy-3-methylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is CAXHRITYBKGTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2S/c1-10-7(11)5-3-4-13-6(5)9-8(10)12-2/h3-4H,1-2H3.
What are the key properties of 2-methoxy-3-methylthieno[2,3-d]pyrimidin-4-one?
2-methoxy-3-methylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 196.23 g/mol, XLogP of 1.00, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-methylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 18738539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).