2-methyl-3-[2-[(4-methylphenyl)methylsulfanyl]pyrimidin-4-yl]imidazo[1,2-a]pyridine

C20H18N4S — CID 2745491

IUPAC2-methyl-3-[2-[(4-methylphenyl)methylsulfanyl]pyrimidin-4-yl]imidazo[1,2-a]pyridine
SMILESCc1ccc(CSc2nccc(-c3c(C)nc4ccccn34)n2)cc1
InChIInChI=1S/C20H18N4S/c1-14-6-8-16(9-7-14)13-25-20-21-11-10-17(23-20)19-15(2)22-18-5-3-4-12-24(18)19/h3-12H,13H2,1-2H3
InChIKeyRGBKYRWJPNVWHR-UHFFFAOYSA-N
MW346.46 g/mol
LogP4.70
Rot. Bonds4

About 2-methyl-3-[2-[(4-methylphenyl)methylsulfanyl]pyrimidin-4-yl]imidazo[1,2-a]pyridine

2-methyl-3-[2-[(4-methylphenyl)methylsulfanyl]pyrimidin-4-yl]imidazo[1,2-a]pyridine (PubChem CID 2745491) has the molecular formula C20H18N4S and a molecular weight of 346.46 g/mol. Its IUPAC name is 2-methyl-3-[2-[(4-methylphenyl)methylsulfanyl]pyrimidin-4-yl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-methyl-3-[2-[(4-methylphenyl)methylsulfanyl]pyrimidin-4-yl]imidazo[1,2-a]pyridine
PubChem CID2745491
Molecular FormulaC20H18N4S
Molecular Weight346.46 g/mol
Exact Mass346.13
IUPAC Name2-methyl-3-[2-[(4-methylphenyl)methylsulfanyl]pyrimidin-4-yl]imidazo[1,2-a]pyridine
SMILESCc1ccc(CSc2nccc(-c3c(C)nc4ccccn34)n2)cc1
InChIInChI=1S/C20H18N4S/c1-14-6-8-16(9-7-14)13-25-20-21-11-10-17(23-20)19-15(2)22-18-5-3-4-12-24(18)19/h3-12H,13H2,1-2H3
InChIKeyRGBKYRWJPNVWHR-UHFFFAOYSA-N
XLogP4.70
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[2-[(4-methylphenyl)methylsulfanyl]pyrimidin-4-yl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-methyl-3-[2-[(4-methylphenyl)methylsulfanyl]pyrimidin-4-yl]imidazo[1,2-a]pyridine (CID 2745491) is 2-methyl-3-[2-[(4-methylphenyl)methylsulfanyl]pyrimidin-4-yl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-methyl-3-[2-[(4-methylphenyl)methylsulfanyl]pyrimidin-4-yl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-methyl-3-[2-[(4-methylphenyl)methylsulfanyl]pyrimidin-4-yl]imidazo[1,2-a]pyridine is Cc1ccc(CSc2nccc(-c3c(C)nc4ccccn34)n2)cc1.
What is the InChIKey of 2-methyl-3-[2-[(4-methylphenyl)methylsulfanyl]pyrimidin-4-yl]imidazo[1,2-a]pyridine?
The InChIKey is RGBKYRWJPNVWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4S/c1-14-6-8-16(9-7-14)13-25-20-21-11-10-17(23-20)19-15(2)22-18-5-3-4-12-24(18)19/h3-12H,13H2,1-2H3.
What are the key properties of 2-methyl-3-[2-[(4-methylphenyl)methylsulfanyl]pyrimidin-4-yl]imidazo[1,2-a]pyridine?
2-methyl-3-[2-[(4-methylphenyl)methylsulfanyl]pyrimidin-4-yl]imidazo[1,2-a]pyridine has a molecular weight of 346.46 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[2-[(4-methylphenyl)methylsulfanyl]pyrimidin-4-yl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 2745491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).