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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Related Compounds

4,6-Bis(methylthio)pyrimidine
CID 238759
4-methylsulfanyl-5H-pyrrolo[2,3-d]pyrimidine
CID 3613640
4-Chloro-6-(methylthio)pyrimidine-5-carbonitrile
CID 11715301
5-Bromo-4,6-bis(methylsulfanyl)pyrimidine
CID 237934
5-Methyl-2,4-bis(methylthio)pyrimidine
CID 11401210
2-Chloro-5-methyl-4-(methylthio)pyrimidine
CID 21267740
2,4-Bis(methylthio)-5-fluoropyrimidine
CID 10921327
2-Chloro-4-methylsulfanyl-5-trifluoromethylpyrimidine
CID 58464574
2,4-Bis-methylsulphanyl-5-trifluoromethyl-pyrimidine
CID 67436703
4-(3,3-Difluoropropylsulfanyl)-6-iodo-5-methylpyrimidine
CID 89022839
5-Methyl-4-methylsulfanyl-2-methylsulfonylpyrimidine
CID 240564
Pyrimido[5,4-e][1,3]-thiazine
CID 86206244

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).