3-[(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxymethyl]-1,2,3,5-oxathiadiazole 2-oxide

C8H10N4O3S2 — CID 177255777

IUPAC3-[(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxymethyl]-1,2,3,5-oxathiadiazole 2-oxide
SMILESCSc1nc(C)cc(OCN2C=NOS2=O)n1
InChIInChI=1S/C8H10N4O3S2/c1-6-3-7(11-8(10-6)16-2)14-5-12-4-9-15-17(12)13/h3-4H,5H2,1-2H3
InChIKeyHIOQZQOIDSCKAK-UHFFFAOYSA-N
MW274.33 g/mol
LogP0.70
Rot. Bonds4

About 3-[(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxymethyl]-1,2,3,5-oxathiadiazole 2-oxide

3-[(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxymethyl]-1,2,3,5-oxathiadiazole 2-oxide (PubChem CID 177255777) has the molecular formula C8H10N4O3S2 and a molecular weight of 274.33 g/mol. Its IUPAC name is 3-[(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxymethyl]-1,2,3,5-oxathiadiazole 2-oxide.

Molecular Properties

Compound Name3-[(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxymethyl]-1,2,3,5-oxathiadiazole 2-oxide
PubChem CID177255777
Molecular FormulaC8H10N4O3S2
Molecular Weight274.33 g/mol
Exact Mass274.02
IUPAC Name3-[(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxymethyl]-1,2,3,5-oxathiadiazole 2-oxide
SMILESCSc1nc(C)cc(OCN2C=NOS2=O)n1
InChIInChI=1S/C8H10N4O3S2/c1-6-3-7(11-8(10-6)16-2)14-5-12-4-9-15-17(12)13/h3-4H,5H2,1-2H3
InChIKeyHIOQZQOIDSCKAK-UHFFFAOYSA-N
XLogP0.70
TPSA76.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxymethyl]-1,2,3,5-oxathiadiazole 2-oxide 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 3-[(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxymethyl]-1,2,3,5-oxathiadiazole 2-oxide?
The IUPAC name of 3-[(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxymethyl]-1,2,3,5-oxathiadiazole 2-oxide (CID 177255777) is 3-[(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxymethyl]-1,2,3,5-oxathiadiazole 2-oxide.
What is the SMILES notation for 3-[(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxymethyl]-1,2,3,5-oxathiadiazole 2-oxide?
The canonical SMILES for 3-[(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxymethyl]-1,2,3,5-oxathiadiazole 2-oxide is CSc1nc(C)cc(OCN2C=NOS2=O)n1.
What is the InChIKey of 3-[(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxymethyl]-1,2,3,5-oxathiadiazole 2-oxide?
The InChIKey is HIOQZQOIDSCKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O3S2/c1-6-3-7(11-8(10-6)16-2)14-5-12-4-9-15-17(12)13/h3-4H,5H2,1-2H3.
What are the key properties of 3-[(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxymethyl]-1,2,3,5-oxathiadiazole 2-oxide?
3-[(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxymethyl]-1,2,3,5-oxathiadiazole 2-oxide has a molecular weight of 274.33 g/mol, XLogP of 0.70, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxymethyl]-1,2,3,5-oxathiadiazole 2-oxide is sourced from PubChem (CID 177255777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).