ethyl 2-ethyl-3-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate

C12H14N2O3S — CID 76852651

IUPACethyl 2-ethyl-3-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cc2c(=O)n(C)c(CC)nc2s1
InChIInChI=1S/C12H14N2O3S/c1-4-9-13-10-7(11(15)14(9)3)6-8(18-10)12(16)17-5-2/h6H,4-5H2,1-3H3
InChIKeyPXCCXBCVSYHOFU-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.73
Rot. Bonds3

About ethyl 2-ethyl-3-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate

ethyl 2-ethyl-3-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate (PubChem CID 76852651) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is ethyl 2-ethyl-3-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 2-ethyl-3-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
PubChem CID76852651
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Nameethyl 2-ethyl-3-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cc2c(=O)n(C)c(CC)nc2s1
InChIInChI=1S/C12H14N2O3S/c1-4-9-13-10-7(11(15)14(9)3)6-8(18-10)12(16)17-5-2/h6H,4-5H2,1-3H3
InChIKeyPXCCXBCVSYHOFU-UHFFFAOYSA-N
XLogP1.73
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-3-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 2-ethyl-3-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate (CID 76852651) is ethyl 2-ethyl-3-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 2-ethyl-3-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 2-ethyl-3-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate is CCOC(=O)c1cc2c(=O)n(C)c(CC)nc2s1.
What is the InChIKey of ethyl 2-ethyl-3-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is PXCCXBCVSYHOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-4-9-13-10-7(11(15)14(9)3)6-8(18-10)12(16)17-5-2/h6H,4-5H2,1-3H3.
What are the key properties of ethyl 2-ethyl-3-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate?
ethyl 2-ethyl-3-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 266.32 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyl-3-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 76852651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).