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

C14H14N4S — CID 914229

IUPAC2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
SMILESCc1cc(C)nc(SCc2cn3ccccc3n2)n1
InChIInChI=1S/C14H14N4S/c1-10-7-11(2)16-14(15-10)19-9-12-8-18-6-4-3-5-13(18)17-12/h3-8H,9H2,1-2H3
InChIKeyCESWBNJMCZJMAN-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.03
Rot. Bonds3

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

2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine (PubChem CID 914229) has the molecular formula C14H14N4S and a molecular weight of 270.36 g/mol. Its IUPAC name is 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
PubChem CID914229
Molecular FormulaC14H14N4S
Molecular Weight270.36 g/mol
Exact Mass270.09
IUPAC Name2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
SMILESCc1cc(C)nc(SCc2cn3ccccc3n2)n1
InChIInChI=1S/C14H14N4S/c1-10-7-11(2)16-14(15-10)19-9-12-8-18-6-4-3-5-13(18)17-12/h3-8H,9H2,1-2H3
InChIKeyCESWBNJMCZJMAN-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 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine (CID 914229) is 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine is Cc1cc(C)nc(SCc2cn3ccccc3n2)n1.
What is the InChIKey of 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine?
The InChIKey is CESWBNJMCZJMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S/c1-10-7-11(2)16-14(15-10)19-9-12-8-18-6-4-3-5-13(18)17-12/h3-8H,9H2,1-2H3.
What are the key properties of 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine?
2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine 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 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 914229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).