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

C12H10N4S — CID 700162

IUPAC2-(pyridin-2-ylsulfanylmethyl)imidazo[1,2-a]pyrimidine
SMILESc1ccc(SCc2cn3cccnc3n2)nc1
InChIInChI=1S/C12H10N4S/c1-2-5-13-11(4-1)17-9-10-8-16-7-3-6-14-12(16)15-10/h1-8H,9H2
InChIKeyXQBOFUVHPKUYNZ-UHFFFAOYSA-N
MW242.31 g/mol
LogP2.42
Rot. Bonds3

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

2-(pyridin-2-ylsulfanylmethyl)imidazo[1,2-a]pyrimidine (PubChem CID 700162) has the molecular formula C12H10N4S and a molecular weight of 242.31 g/mol. Its IUPAC name is 2-(pyridin-2-ylsulfanylmethyl)imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-(pyridin-2-ylsulfanylmethyl)imidazo[1,2-a]pyrimidine
PubChem CID700162
Molecular FormulaC12H10N4S
Molecular Weight242.31 g/mol
Exact Mass242.06
IUPAC Name2-(pyridin-2-ylsulfanylmethyl)imidazo[1,2-a]pyrimidine
SMILESc1ccc(SCc2cn3cccnc3n2)nc1
InChIInChI=1S/C12H10N4S/c1-2-5-13-11(4-1)17-9-10-8-16-7-3-6-14-12(16)15-10/h1-8H,9H2
InChIKeyXQBOFUVHPKUYNZ-UHFFFAOYSA-N
XLogP2.42
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-2-ylsulfanylmethyl)imidazo[1,2-a]pyrimidine?
The IUPAC name of 2-(pyridin-2-ylsulfanylmethyl)imidazo[1,2-a]pyrimidine (CID 700162) is 2-(pyridin-2-ylsulfanylmethyl)imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-(pyridin-2-ylsulfanylmethyl)imidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-(pyridin-2-ylsulfanylmethyl)imidazo[1,2-a]pyrimidine is c1ccc(SCc2cn3cccnc3n2)nc1.
What is the InChIKey of 2-(pyridin-2-ylsulfanylmethyl)imidazo[1,2-a]pyrimidine?
The InChIKey is XQBOFUVHPKUYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4S/c1-2-5-13-11(4-1)17-9-10-8-16-7-3-6-14-12(16)15-10/h1-8H,9H2.
What are the key properties of 2-(pyridin-2-ylsulfanylmethyl)imidazo[1,2-a]pyrimidine?
2-(pyridin-2-ylsulfanylmethyl)imidazo[1,2-a]pyrimidine has a molecular weight of 242.31 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-2-ylsulfanylmethyl)imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 700162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).