2-(4-methylsulfanylimidazol-1-yl)pyrimidine

C8H8N4S — CID 174476045

IUPAC2-(4-methylsulfanylimidazol-1-yl)pyrimidine
SMILESCSc1cn(-c2ncccn2)cn1
InChIInChI=1S/C8H8N4S/c1-13-7-5-12(6-11-7)8-9-3-2-4-10-8/h2-6H,1H3
InChIKeyJYWXFUHMOWBYPS-UHFFFAOYSA-N
MW192.25 g/mol
LogP1.38
Rot. Bonds2

About 2-(4-methylsulfanylimidazol-1-yl)pyrimidine

2-(4-methylsulfanylimidazol-1-yl)pyrimidine (PubChem CID 174476045) has the molecular formula C8H8N4S and a molecular weight of 192.25 g/mol. Its IUPAC name is 2-(4-methylsulfanylimidazol-1-yl)pyrimidine.

Molecular Properties

Compound Name2-(4-methylsulfanylimidazol-1-yl)pyrimidine
PubChem CID174476045
Molecular FormulaC8H8N4S
Molecular Weight192.25 g/mol
Exact Mass192.05
IUPAC Name2-(4-methylsulfanylimidazol-1-yl)pyrimidine
SMILESCSc1cn(-c2ncccn2)cn1
InChIInChI=1S/C8H8N4S/c1-13-7-5-12(6-11-7)8-9-3-2-4-10-8/h2-6H,1H3
InChIKeyJYWXFUHMOWBYPS-UHFFFAOYSA-N
XLogP1.38
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfanylimidazol-1-yl)pyrimidine?
The IUPAC name of 2-(4-methylsulfanylimidazol-1-yl)pyrimidine (CID 174476045) is 2-(4-methylsulfanylimidazol-1-yl)pyrimidine.
What is the SMILES notation for 2-(4-methylsulfanylimidazol-1-yl)pyrimidine?
The canonical SMILES for 2-(4-methylsulfanylimidazol-1-yl)pyrimidine is CSc1cn(-c2ncccn2)cn1.
What is the InChIKey of 2-(4-methylsulfanylimidazol-1-yl)pyrimidine?
The InChIKey is JYWXFUHMOWBYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4S/c1-13-7-5-12(6-11-7)8-9-3-2-4-10-8/h2-6H,1H3.
What are the key properties of 2-(4-methylsulfanylimidazol-1-yl)pyrimidine?
2-(4-methylsulfanylimidazol-1-yl)pyrimidine has a molecular weight of 192.25 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfanylimidazol-1-yl)pyrimidine is sourced from PubChem (CID 174476045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).