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

C14H14N4S — CID 4176722

IUPAC5-methyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
SMILESCc1ccnc(SCc2cn3c(C)cccc3n2)n1
InChIInChI=1S/C14H14N4S/c1-10-6-7-15-14(16-10)19-9-12-8-18-11(2)4-3-5-13(18)17-12/h3-8H,9H2,1-2H3
InChIKeyZEJFHBJQLLBUSX-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.03
Rot. Bonds3

About 5-methyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine

5-methyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine (PubChem CID 4176722) has the molecular formula C14H14N4S and a molecular weight of 270.36 g/mol. Its IUPAC name is 5-methyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name5-methyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
PubChem CID4176722
Molecular FormulaC14H14N4S
Molecular Weight270.36 g/mol
Exact Mass270.09
IUPAC Name5-methyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
SMILESCc1ccnc(SCc2cn3c(C)cccc3n2)n1
InChIInChI=1S/C14H14N4S/c1-10-6-7-15-14(16-10)19-9-12-8-18-11(2)4-3-5-13(18)17-12/h3-8H,9H2,1-2H3
InChIKeyZEJFHBJQLLBUSX-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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Related Compounds

Glu-P 2
CID 49970
Dipraglurant
CID 44557636
N-cyclohexyl-4-(imidazo(1,2-a)pyridin-3-yl)-N-methylpyrimidin-2-amine
CID 24801862
1-phenyl-1H-imidazo[4,5-c]pyridine
CID 5328473
4-{2-methylimidazo[1,2-a]pyridin-3-yl}-N-phenylpyrimidin-2-amine
CID 6539009
2-Anilino-4-(imidazo[1,2-a]pyrid-3-yl)pyrimidine
CID 6539022
N-[4-(2-Methylimidazo[1,2-A]pyridin-3-YL)-2-pyrimidinyl]acetamide
CID 447652
4-(2-Methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine
CID 6539018
7-(Trifluoromethyl)-3-(6-(trifluoromethyl)pyridin-2-yl)imidazo[1,2-a]pyrimidine
CID 9945466
6-(4-Methyl-piperazin-1-yl)-pyrido[3,2-e]pyrrolo[1,2-a]pyrazine
CID 19978038
2-[(4,6-Dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
CID 914229
2-({Imidazo[1,2-a]pyridin-2-ylmethyl}sulfanyl)-6-methylpyrimidin-4-ol
CID 135468839

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine?
The IUPAC name of 5-methyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine (CID 4176722) is 5-methyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 5-methyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 5-methyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine is Cc1ccnc(SCc2cn3c(C)cccc3n2)n1.
What is the InChIKey of 5-methyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine?
The InChIKey is ZEJFHBJQLLBUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S/c1-10-6-7-15-14(16-10)19-9-12-8-18-11(2)4-3-5-13(18)17-12/h3-8H,9H2,1-2H3.
What are the key properties of 5-methyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine?
5-methyl-2-[(4-methylpyrimidin-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 5-methyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 4176722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).