4-ethoxy-6-ethylpyrimidine-5-sulfonothioamide

C8H13N3O2S2 — CID 67918503

IUPAC4-ethoxy-6-ethylpyrimidine-5-sulfonothioamide
SMILESCCOc1ncnc(CC)c1S(N)(=O)=S
InChIInChI=1S/C8H13N3O2S2/c1-3-6-7(15(9,12)14)8(13-4-2)11-5-10-6/h5H,3-4H2,1-2H3,(H2,9,12,14)
InChIKeyBSWLNBPRYIHUCO-UHFFFAOYSA-N
MW247.34 g/mol
LogP0.42
Rot. Bonds4

About 4-ethoxy-6-ethylpyrimidine-5-sulfonothioamide

4-ethoxy-6-ethylpyrimidine-5-sulfonothioamide (PubChem CID 67918503) has the molecular formula C8H13N3O2S2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-ethoxy-6-ethylpyrimidine-5-sulfonothioamide.

Molecular Properties

Compound Name4-ethoxy-6-ethylpyrimidine-5-sulfonothioamide
PubChem CID67918503
Molecular FormulaC8H13N3O2S2
Molecular Weight247.34 g/mol
Exact Mass247.04
IUPAC Name4-ethoxy-6-ethylpyrimidine-5-sulfonothioamide
SMILESCCOc1ncnc(CC)c1S(N)(=O)=S
InChIInChI=1S/C8H13N3O2S2/c1-3-6-7(15(9,12)14)8(13-4-2)11-5-10-6/h5H,3-4H2,1-2H3,(H2,9,12,14)
InChIKeyBSWLNBPRYIHUCO-UHFFFAOYSA-N
XLogP0.42
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-ethoxy-6-ethylpyrimidine-5-sulfonothioamide 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 4-ethoxy-6-ethylpyrimidine-5-sulfonothioamide?
The IUPAC name of 4-ethoxy-6-ethylpyrimidine-5-sulfonothioamide (CID 67918503) is 4-ethoxy-6-ethylpyrimidine-5-sulfonothioamide.
What is the SMILES notation for 4-ethoxy-6-ethylpyrimidine-5-sulfonothioamide?
The canonical SMILES for 4-ethoxy-6-ethylpyrimidine-5-sulfonothioamide is CCOc1ncnc(CC)c1S(N)(=O)=S.
What is the InChIKey of 4-ethoxy-6-ethylpyrimidine-5-sulfonothioamide?
The InChIKey is BSWLNBPRYIHUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S2/c1-3-6-7(15(9,12)14)8(13-4-2)11-5-10-6/h5H,3-4H2,1-2H3,(H2,9,12,14).
What are the key properties of 4-ethoxy-6-ethylpyrimidine-5-sulfonothioamide?
4-ethoxy-6-ethylpyrimidine-5-sulfonothioamide has a molecular weight of 247.34 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-ethylpyrimidine-5-sulfonothioamide is sourced from PubChem (CID 67918503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).