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

C10H10N2O3S — CID 76852649

IUPACethyl 3-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cc2c(=O)n(C)cnc2s1
InChIInChI=1S/C10H10N2O3S/c1-3-15-10(14)7-4-6-8(16-7)11-5-12(2)9(6)13/h4-5H,3H2,1-2H3
InChIKeyFCFXPFNQNZDGDN-UHFFFAOYSA-N
MW238.27 g/mol
LogP1.17
Rot. Bonds2

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

ethyl 3-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate (PubChem CID 76852649) has the molecular formula C10H10N2O3S and a molecular weight of 238.27 g/mol. Its IUPAC name is ethyl 3-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
PubChem CID76852649
Molecular FormulaC10H10N2O3S
Molecular Weight238.27 g/mol
Exact Mass238.04
IUPAC Nameethyl 3-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cc2c(=O)n(C)cnc2s1
InChIInChI=1S/C10H10N2O3S/c1-3-15-10(14)7-4-6-8(16-7)11-5-12(2)9(6)13/h4-5H,3H2,1-2H3
InChIKeyFCFXPFNQNZDGDN-UHFFFAOYSA-N
XLogP1.17
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 3-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate (CID 76852649) is ethyl 3-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 3-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 3-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate is CCOC(=O)c1cc2c(=O)n(C)cnc2s1.
What is the InChIKey of ethyl 3-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is FCFXPFNQNZDGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3S/c1-3-15-10(14)7-4-6-8(16-7)11-5-12(2)9(6)13/h4-5H,3H2,1-2H3.
What are the key properties of ethyl 3-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate?
ethyl 3-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 238.27 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 76852649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).