4,5-dimethyl-2,6-bis(methylsulfanyl)pyrimidine

C8H12N2S2 — CID 10013038

IUPAC4,5-dimethyl-2,6-bis(methylsulfanyl)pyrimidine
SMILESCSc1nc(C)c(C)c(SC)n1
InChIInChI=1S/C8H12N2S2/c1-5-6(2)9-8(12-4)10-7(5)11-3/h1-4H3
InChIKeyWWTMVBLEOPZZMH-UHFFFAOYSA-N
MW200.33 g/mol
LogP2.54
Rot. Bonds2

About 4,5-dimethyl-2,6-bis(methylsulfanyl)pyrimidine

4,5-dimethyl-2,6-bis(methylsulfanyl)pyrimidine (PubChem CID 10013038) has the molecular formula C8H12N2S2 and a molecular weight of 200.33 g/mol. Its IUPAC name is 4,5-dimethyl-2,6-bis(methylsulfanyl)pyrimidine.

Molecular Properties

Compound Name4,5-dimethyl-2,6-bis(methylsulfanyl)pyrimidine
PubChem CID10013038
Molecular FormulaC8H12N2S2
Molecular Weight200.33 g/mol
Exact Mass200.04
IUPAC Name4,5-dimethyl-2,6-bis(methylsulfanyl)pyrimidine
SMILESCSc1nc(C)c(C)c(SC)n1
InChIInChI=1S/C8H12N2S2/c1-5-6(2)9-8(12-4)10-7(5)11-3/h1-4H3
InChIKeyWWTMVBLEOPZZMH-UHFFFAOYSA-N
XLogP2.54
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2,6-bis(methylsulfanyl)pyrimidine?
The IUPAC name of 4,5-dimethyl-2,6-bis(methylsulfanyl)pyrimidine (CID 10013038) is 4,5-dimethyl-2,6-bis(methylsulfanyl)pyrimidine.
What is the SMILES notation for 4,5-dimethyl-2,6-bis(methylsulfanyl)pyrimidine?
The canonical SMILES for 4,5-dimethyl-2,6-bis(methylsulfanyl)pyrimidine is CSc1nc(C)c(C)c(SC)n1.
What is the InChIKey of 4,5-dimethyl-2,6-bis(methylsulfanyl)pyrimidine?
The InChIKey is WWTMVBLEOPZZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S2/c1-5-6(2)9-8(12-4)10-7(5)11-3/h1-4H3.
What are the key properties of 4,5-dimethyl-2,6-bis(methylsulfanyl)pyrimidine?
4,5-dimethyl-2,6-bis(methylsulfanyl)pyrimidine has a molecular weight of 200.33 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2,6-bis(methylsulfanyl)pyrimidine is sourced from PubChem (CID 10013038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).