5-methylsulfinylpyrimidine

C5H6N2OS — CID 45080472

IUPAC5-methylsulfinylpyrimidine
SMILESCS(=O)c1cncnc1
InChIInChI=1S/C5H6N2OS/c1-9(8)5-2-6-4-7-3-5/h2-4H,1H3
InChIKeyOJZDJNGQQLGHLA-UHFFFAOYSA-N
MW142.18 g/mol
LogP0.21
Rot. Bonds1

About 5-methylsulfinylpyrimidine

5-methylsulfinylpyrimidine (PubChem CID 45080472) has the molecular formula C5H6N2OS and a molecular weight of 142.18 g/mol. Its IUPAC name is 5-methylsulfinylpyrimidine.

Molecular Properties

Compound Name5-methylsulfinylpyrimidine
PubChem CID45080472
Molecular FormulaC5H6N2OS
Molecular Weight142.18 g/mol
Exact Mass142.02
IUPAC Name5-methylsulfinylpyrimidine
SMILESCS(=O)c1cncnc1
InChIInChI=1S/C5H6N2OS/c1-9(8)5-2-6-4-7-3-5/h2-4H,1H3
InChIKeyOJZDJNGQQLGHLA-UHFFFAOYSA-N
XLogP0.21
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methylsulfinylpyrimidine?
The IUPAC name of 5-methylsulfinylpyrimidine (CID 45080472) is 5-methylsulfinylpyrimidine.
What is the SMILES notation for 5-methylsulfinylpyrimidine?
The canonical SMILES for 5-methylsulfinylpyrimidine is CS(=O)c1cncnc1.
What is the InChIKey of 5-methylsulfinylpyrimidine?
The InChIKey is OJZDJNGQQLGHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2OS/c1-9(8)5-2-6-4-7-3-5/h2-4H,1H3.
What are the key properties of 5-methylsulfinylpyrimidine?
5-methylsulfinylpyrimidine has a molecular weight of 142.18 g/mol, XLogP of 0.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfinylpyrimidine is sourced from PubChem (CID 45080472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).