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

C14H13ClN4S — CID 2818406

IUPAC6-chloro-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
SMILESCc1cc(C)nc(SCc2cn3cc(Cl)ccc3n2)n1
InChIInChI=1S/C14H13ClN4S/c1-9-5-10(2)17-14(16-9)20-8-12-7-19-6-11(15)3-4-13(19)18-12/h3-7H,8H2,1-2H3
InChIKeyYWYACOSMRWGSEW-UHFFFAOYSA-N
MW304.81 g/mol
LogP3.69
Rot. Bonds3

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

6-chloro-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine (PubChem CID 2818406) has the molecular formula C14H13ClN4S and a molecular weight of 304.81 g/mol. Its IUPAC name is 6-chloro-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-chloro-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
PubChem CID2818406
Molecular FormulaC14H13ClN4S
Molecular Weight304.81 g/mol
Exact Mass304.05
IUPAC Name6-chloro-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
SMILESCc1cc(C)nc(SCc2cn3cc(Cl)ccc3n2)n1
InChIInChI=1S/C14H13ClN4S/c1-9-5-10(2)17-14(16-9)20-8-12-7-19-6-11(15)3-4-13(19)18-12/h3-7H,8H2,1-2H3
InChIKeyYWYACOSMRWGSEW-UHFFFAOYSA-N
XLogP3.69
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.81
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine?
The IUPAC name of 6-chloro-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine (CID 2818406) is 6-chloro-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-chloro-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 6-chloro-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine is Cc1cc(C)nc(SCc2cn3cc(Cl)ccc3n2)n1.
What is the InChIKey of 6-chloro-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine?
The InChIKey is YWYACOSMRWGSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4S/c1-9-5-10(2)17-14(16-9)20-8-12-7-19-6-11(15)3-4-13(19)18-12/h3-7H,8H2,1-2H3.
What are the key properties of 6-chloro-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine?
6-chloro-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine has a molecular weight of 304.81 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 2818406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).