ethyl 4-ethoxy-5-methylthieno[2,3-d]pyrimidine-6-carboxylate

C12H14N2O3S — CID 735546

IUPACethyl 4-ethoxy-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1sc2ncnc(OCC)c2c1C
InChIInChI=1S/C12H14N2O3S/c1-4-16-10-8-7(3)9(12(15)17-5-2)18-11(8)14-6-13-10/h6H,4-5H2,1-3H3
InChIKeyIMMZOKADMFIKFV-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.58
Rot. Bonds4

About ethyl 4-ethoxy-5-methylthieno[2,3-d]pyrimidine-6-carboxylate

ethyl 4-ethoxy-5-methylthieno[2,3-d]pyrimidine-6-carboxylate (PubChem CID 735546) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is ethyl 4-ethoxy-5-methylthieno[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 4-ethoxy-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
PubChem CID735546
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Nameethyl 4-ethoxy-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1sc2ncnc(OCC)c2c1C
InChIInChI=1S/C12H14N2O3S/c1-4-16-10-8-7(3)9(12(15)17-5-2)18-11(8)14-6-13-10/h6H,4-5H2,1-3H3
InChIKeyIMMZOKADMFIKFV-UHFFFAOYSA-N
XLogP2.58
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-ethoxy-5-methylthieno[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 4-ethoxy-5-methylthieno[2,3-d]pyrimidine-6-carboxylate (CID 735546) is ethyl 4-ethoxy-5-methylthieno[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 4-ethoxy-5-methylthieno[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 4-ethoxy-5-methylthieno[2,3-d]pyrimidine-6-carboxylate is CCOC(=O)c1sc2ncnc(OCC)c2c1C.
What is the InChIKey of ethyl 4-ethoxy-5-methylthieno[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is IMMZOKADMFIKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-4-16-10-8-7(3)9(12(15)17-5-2)18-11(8)14-6-13-10/h6H,4-5H2,1-3H3.
What are the key properties of ethyl 4-ethoxy-5-methylthieno[2,3-d]pyrimidine-6-carboxylate?
ethyl 4-ethoxy-5-methylthieno[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 266.32 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-ethoxy-5-methylthieno[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 735546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).