2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methylimidazo[1,2-a]pyridine

C15H16N4S — CID 776109

IUPAC2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methylimidazo[1,2-a]pyridine
SMILESCc1cc(C)nc(SCc2cn3c(C)cccc3n2)n1
InChIInChI=1S/C15H16N4S/c1-10-7-11(2)17-15(16-10)20-9-13-8-19-12(3)5-4-6-14(19)18-13/h4-8H,9H2,1-3H3
InChIKeyUPALGJTYTUKPKZ-UHFFFAOYSA-N
MW284.39 g/mol
LogP3.34
Rot. Bonds3

About 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methylimidazo[1,2-a]pyridine

2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methylimidazo[1,2-a]pyridine (PubChem CID 776109) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methylimidazo[1,2-a]pyridine
PubChem CID776109
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC Name2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methylimidazo[1,2-a]pyridine
SMILESCc1cc(C)nc(SCc2cn3c(C)cccc3n2)n1
InChIInChI=1S/C15H16N4S/c1-10-7-11(2)17-15(16-10)20-9-13-8-19-12(3)5-4-6-14(19)18-13/h4-8H,9H2,1-3H3
InChIKeyUPALGJTYTUKPKZ-UHFFFAOYSA-N
XLogP3.34
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methylimidazo[1,2-a]pyridine?
The IUPAC name of 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methylimidazo[1,2-a]pyridine (CID 776109) is 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methylimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methylimidazo[1,2-a]pyridine?
The canonical SMILES for 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methylimidazo[1,2-a]pyridine is Cc1cc(C)nc(SCc2cn3c(C)cccc3n2)n1.
What is the InChIKey of 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methylimidazo[1,2-a]pyridine?
The InChIKey is UPALGJTYTUKPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c1-10-7-11(2)17-15(16-10)20-9-13-8-19-12(3)5-4-6-14(19)18-13/h4-8H,9H2,1-3H3.
What are the key properties of 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methylimidazo[1,2-a]pyridine?
2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methylimidazo[1,2-a]pyridine has a molecular weight of 284.39 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methylimidazo[1,2-a]pyridine is sourced from PubChem (CID 776109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).