2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-4-methyl-1H-pyrimidin-6-one

C13H12N4OS — CID 135468839

IUPAC2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(SCc2cn3ccccc3n2)n1
InChIInChI=1S/C13H12N4OS/c1-9-6-12(18)16-13(14-9)19-8-10-7-17-5-3-2-4-11(17)15-10/h2-7H,8H2,1H3,(H,14,16,18)
InChIKeyKGGRSUCAALNXAH-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.02
Rot. Bonds3

About 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-4-methyl-1H-pyrimidin-6-one

2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-4-methyl-1H-pyrimidin-6-one (PubChem CID 135468839) has the molecular formula C13H12N4OS and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-4-methyl-1H-pyrimidin-6-one
PubChem CID135468839
Molecular FormulaC13H12N4OS
Molecular Weight272.33 g/mol
Exact Mass272.07
IUPAC Name2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(SCc2cn3ccccc3n2)n1
InChIInChI=1S/C13H12N4OS/c1-9-6-12(18)16-13(14-9)19-8-10-7-17-5-3-2-4-11(17)15-10/h2-7H,8H2,1H3,(H,14,16,18)
InChIKeyKGGRSUCAALNXAH-UHFFFAOYSA-N
XLogP2.02
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-4-methyl-1H-pyrimidin-6-one (CID 135468839) is 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(SCc2cn3ccccc3n2)n1.
What is the InChIKey of 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is KGGRSUCAALNXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS/c1-9-6-12(18)16-13(14-9)19-8-10-7-17-5-3-2-4-11(17)15-10/h2-7H,8H2,1H3,(H,14,16,18).
What are the key properties of 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-4-methyl-1H-pyrimidin-6-one?
2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 272.33 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135468839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).