5,7-dimethyl-2-(pyridin-2-ylsulfanylmethyl)imidazo[1,2-a]pyrimidine

C14H14N4S — CID 4533482

IUPAC5,7-dimethyl-2-(pyridin-2-ylsulfanylmethyl)imidazo[1,2-a]pyrimidine
SMILESCc1cc(C)n2cc(CSc3ccccn3)nc2n1
InChIInChI=1S/C14H14N4S/c1-10-7-11(2)18-8-12(17-14(18)16-10)9-19-13-5-3-4-6-15-13/h3-8H,9H2,1-2H3
InChIKeySLZLSZRRYAJTBV-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.03
Rot. Bonds3

About 5,7-dimethyl-2-(pyridin-2-ylsulfanylmethyl)imidazo[1,2-a]pyrimidine

5,7-dimethyl-2-(pyridin-2-ylsulfanylmethyl)imidazo[1,2-a]pyrimidine (PubChem CID 4533482) has the molecular formula C14H14N4S and a molecular weight of 270.36 g/mol. Its IUPAC name is 5,7-dimethyl-2-(pyridin-2-ylsulfanylmethyl)imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name5,7-dimethyl-2-(pyridin-2-ylsulfanylmethyl)imidazo[1,2-a]pyrimidine
PubChem CID4533482
Molecular FormulaC14H14N4S
Molecular Weight270.36 g/mol
Exact Mass270.09
IUPAC Name5,7-dimethyl-2-(pyridin-2-ylsulfanylmethyl)imidazo[1,2-a]pyrimidine
SMILESCc1cc(C)n2cc(CSc3ccccn3)nc2n1
InChIInChI=1S/C14H14N4S/c1-10-7-11(2)18-8-12(17-14(18)16-10)9-19-13-5-3-4-6-15-13/h3-8H,9H2,1-2H3
InChIKeySLZLSZRRYAJTBV-UHFFFAOYSA-N
XLogP3.03
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2-(pyridin-2-ylsulfanylmethyl)imidazo[1,2-a]pyrimidine?
The IUPAC name of 5,7-dimethyl-2-(pyridin-2-ylsulfanylmethyl)imidazo[1,2-a]pyrimidine (CID 4533482) is 5,7-dimethyl-2-(pyridin-2-ylsulfanylmethyl)imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 5,7-dimethyl-2-(pyridin-2-ylsulfanylmethyl)imidazo[1,2-a]pyrimidine?
The canonical SMILES for 5,7-dimethyl-2-(pyridin-2-ylsulfanylmethyl)imidazo[1,2-a]pyrimidine is Cc1cc(C)n2cc(CSc3ccccn3)nc2n1.
What is the InChIKey of 5,7-dimethyl-2-(pyridin-2-ylsulfanylmethyl)imidazo[1,2-a]pyrimidine?
The InChIKey is SLZLSZRRYAJTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S/c1-10-7-11(2)18-8-12(17-14(18)16-10)9-19-13-5-3-4-6-15-13/h3-8H,9H2,1-2H3.
What are the key properties of 5,7-dimethyl-2-(pyridin-2-ylsulfanylmethyl)imidazo[1,2-a]pyrimidine?
5,7-dimethyl-2-(pyridin-2-ylsulfanylmethyl)imidazo[1,2-a]pyrimidine has a molecular weight of 270.36 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2-(pyridin-2-ylsulfanylmethyl)imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 4533482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).