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

C11H12N2O3S — CID 658409

IUPACethyl 4-methoxy-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1sc2ncnc(OC)c2c1C
InChIInChI=1S/C11H12N2O3S/c1-4-16-11(14)8-6(2)7-9(15-3)12-5-13-10(7)17-8/h5H,4H2,1-3H3
InChIKeyBJCRYHMRNPOVKG-UHFFFAOYSA-N
MW252.29 g/mol
LogP2.19
Rot. Bonds3

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

ethyl 4-methoxy-5-methylthieno[2,3-d]pyrimidine-6-carboxylate (PubChem CID 658409) has the molecular formula C11H12N2O3S and a molecular weight of 252.29 g/mol. Its IUPAC name is ethyl 4-methoxy-5-methylthieno[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 4-methoxy-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
PubChem CID658409
Molecular FormulaC11H12N2O3S
Molecular Weight252.29 g/mol
Exact Mass252.06
IUPAC Nameethyl 4-methoxy-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1sc2ncnc(OC)c2c1C
InChIInChI=1S/C11H12N2O3S/c1-4-16-11(14)8-6(2)7-9(15-3)12-5-13-10(7)17-8/h5H,4H2,1-3H3
InChIKeyBJCRYHMRNPOVKG-UHFFFAOYSA-N
XLogP2.19
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-methoxy-5-methylthieno[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 4-methoxy-5-methylthieno[2,3-d]pyrimidine-6-carboxylate (CID 658409) is ethyl 4-methoxy-5-methylthieno[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 4-methoxy-5-methylthieno[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 4-methoxy-5-methylthieno[2,3-d]pyrimidine-6-carboxylate is CCOC(=O)c1sc2ncnc(OC)c2c1C.
What is the InChIKey of ethyl 4-methoxy-5-methylthieno[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is BJCRYHMRNPOVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S/c1-4-16-11(14)8-6(2)7-9(15-3)12-5-13-10(7)17-8/h5H,4H2,1-3H3.
What are the key properties of ethyl 4-methoxy-5-methylthieno[2,3-d]pyrimidine-6-carboxylate?
ethyl 4-methoxy-5-methylthieno[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 252.29 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methoxy-5-methylthieno[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 658409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).