5-methyl-4,6-bis(methylsulfanyl)pyrimidine

C7H10N2S2 — CID 23403399

IUPAC5-methyl-4,6-bis(methylsulfanyl)pyrimidine
SMILESCSc1ncnc(SC)c1C
InChIInChI=1S/C7H10N2S2/c1-5-6(10-2)8-4-9-7(5)11-3/h4H,1-3H3
InChIKeyGQNQLTOAODWZTB-UHFFFAOYSA-N
MW186.31 g/mol
LogP2.23
Rot. Bonds2

About 5-methyl-4,6-bis(methylsulfanyl)pyrimidine

5-methyl-4,6-bis(methylsulfanyl)pyrimidine (PubChem CID 23403399) has the molecular formula C7H10N2S2 and a molecular weight of 186.31 g/mol. Its IUPAC name is 5-methyl-4,6-bis(methylsulfanyl)pyrimidine.

Molecular Properties

Compound Name5-methyl-4,6-bis(methylsulfanyl)pyrimidine
PubChem CID23403399
Molecular FormulaC7H10N2S2
Molecular Weight186.31 g/mol
Exact Mass186.03
IUPAC Name5-methyl-4,6-bis(methylsulfanyl)pyrimidine
SMILESCSc1ncnc(SC)c1C
InChIInChI=1S/C7H10N2S2/c1-5-6(10-2)8-4-9-7(5)11-3/h4H,1-3H3
InChIKeyGQNQLTOAODWZTB-UHFFFAOYSA-N
XLogP2.23
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.31
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4,6-bis(methylsulfanyl)pyrimidine?
The IUPAC name of 5-methyl-4,6-bis(methylsulfanyl)pyrimidine (CID 23403399) is 5-methyl-4,6-bis(methylsulfanyl)pyrimidine.
What is the SMILES notation for 5-methyl-4,6-bis(methylsulfanyl)pyrimidine?
The canonical SMILES for 5-methyl-4,6-bis(methylsulfanyl)pyrimidine is CSc1ncnc(SC)c1C.
What is the InChIKey of 5-methyl-4,6-bis(methylsulfanyl)pyrimidine?
The InChIKey is GQNQLTOAODWZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2S2/c1-5-6(10-2)8-4-9-7(5)11-3/h4H,1-3H3.
What are the key properties of 5-methyl-4,6-bis(methylsulfanyl)pyrimidine?
5-methyl-4,6-bis(methylsulfanyl)pyrimidine has a molecular weight of 186.31 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4,6-bis(methylsulfanyl)pyrimidine is sourced from PubChem (CID 23403399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).