2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine

C13H12N4S — CID 17307793

IUPAC2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
SMILESCc1ccnc(SCc2cn3ccccc3n2)n1
InChIInChI=1S/C13H12N4S/c1-10-5-6-14-13(15-10)18-9-11-8-17-7-3-2-4-12(17)16-11/h2-8H,9H2,1H3
InChIKeyVFIYOWGAOYKTHL-UHFFFAOYSA-N
MW256.33 g/mol
LogP2.73
Rot. Bonds3

About 2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine

2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine (PubChem CID 17307793) has the molecular formula C13H12N4S and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
PubChem CID17307793
Molecular FormulaC13H12N4S
Molecular Weight256.33 g/mol
Exact Mass256.08
IUPAC Name2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
SMILESCc1ccnc(SCc2cn3ccccc3n2)n1
InChIInChI=1S/C13H12N4S/c1-10-5-6-14-13(15-10)18-9-11-8-17-7-3-2-4-12(17)16-11/h2-8H,9H2,1H3
InChIKeyVFIYOWGAOYKTHL-UHFFFAOYSA-N
XLogP2.73
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
CID 700171
2,3-bis(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)quinoxaline
CID 23821918
2-[(1-phenylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
CID 38511832
2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-4,6-dimethylpyridine-3-carbonitrile
CID 4175552
2-[(2-methylphenyl)methylsulfanylmethyl]imidazo[1,2-a]pyridine
CID 84603021
2-[[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]imidazo[1,2-a]pyridine
CID 38015813
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzaldehyde
CID 113384643
ethane;imidazo[1,2-a]pyridin-2-ylmethanol
CID 91126513
[5-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]methanamine
CID 63315098
2-[[4-methyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine
CID 19726048
2-[(2-fluorophenyl)methylsulfanyl]-4-methylpyrimidine
CID 5048437
2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine
CID 19729814

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine (CID 17307793) is 2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine is Cc1ccnc(SCc2cn3ccccc3n2)n1.
What is the InChIKey of 2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine?
The InChIKey is VFIYOWGAOYKTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4S/c1-10-5-6-14-13(15-10)18-9-11-8-17-7-3-2-4-12(17)16-11/h2-8H,9H2,1H3.
What are the key properties of 2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine?
2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine has a molecular weight of 256.33 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 17307793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).