tert-butyl 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetate

C14H18N2O3S — CID 35380437

IUPACtert-butyl 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetate
SMILESCCc1cc2c(=O)n(CC(=O)OC(C)(C)C)cnc2s1
InChIInChI=1S/C14H18N2O3S/c1-5-9-6-10-12(20-9)15-8-16(13(10)18)7-11(17)19-14(2,3)4/h6,8H,5,7H2,1-4H3
InChIKeyTVJNYEGSIUUBNG-UHFFFAOYSA-N
MW294.38 g/mol
LogP2.36
Rot. Bonds3

About tert-butyl 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetate

tert-butyl 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetate (PubChem CID 35380437) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is tert-butyl 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetate.

Molecular Properties

Compound Nametert-butyl 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetate
PubChem CID35380437
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Nametert-butyl 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetate
SMILESCCc1cc2c(=O)n(CC(=O)OC(C)(C)C)cnc2s1
InChIInChI=1S/C14H18N2O3S/c1-5-9-6-10-12(20-9)15-8-16(13(10)18)7-11(17)19-14(2,3)4/h6,8H,5,7H2,1-4H3
InChIKeyTVJNYEGSIUUBNG-UHFFFAOYSA-N
XLogP2.36
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetate?
The IUPAC name of tert-butyl 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetate (CID 35380437) is tert-butyl 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetate.
What is the SMILES notation for tert-butyl 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetate?
The canonical SMILES for tert-butyl 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetate is CCc1cc2c(=O)n(CC(=O)OC(C)(C)C)cnc2s1.
What is the InChIKey of tert-butyl 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetate?
The InChIKey is TVJNYEGSIUUBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-5-9-6-10-12(20-9)15-8-16(13(10)18)7-11(17)19-14(2,3)4/h6,8H,5,7H2,1-4H3.
What are the key properties of tert-butyl 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetate?
tert-butyl 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetate has a molecular weight of 294.38 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetate is sourced from PubChem (CID 35380437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).