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

C12H11N5OS — CID 135407992

IUPAC2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(SCc2cn3cccnc3n2)n1
InChIInChI=1S/C12H11N5OS/c1-8-5-10(18)16-12(14-8)19-7-9-6-17-4-2-3-13-11(17)15-9/h2-6H,7H2,1H3,(H,14,16,18)
InChIKeyJOTIMGXQWGNMMP-UHFFFAOYSA-N
MW273.32 g/mol
LogP1.41
Rot. Bonds3

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

2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-4-methyl-1H-pyrimidin-6-one (PubChem CID 135407992) has the molecular formula C12H11N5OS and a molecular weight of 273.32 g/mol. Its IUPAC name is 2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-4-methyl-1H-pyrimidin-6-one
PubChem CID135407992
Molecular FormulaC12H11N5OS
Molecular Weight273.32 g/mol
Exact Mass273.07
IUPAC Name2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(SCc2cn3cccnc3n2)n1
InChIInChI=1S/C12H11N5OS/c1-8-5-10(18)16-12(14-8)19-7-9-6-17-4-2-3-13-11(17)15-9/h2-6H,7H2,1H3,(H,14,16,18)
InChIKeyJOTIMGXQWGNMMP-UHFFFAOYSA-N
XLogP1.41
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-4-methyl-1H-pyrimidin-6-one (CID 135407992) is 2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(SCc2cn3cccnc3n2)n1.
What is the InChIKey of 2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is JOTIMGXQWGNMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5OS/c1-8-5-10(18)16-12(14-8)19-7-9-6-17-4-2-3-13-11(17)15-9/h2-6H,7H2,1H3,(H,14,16,18).
What are the key properties of 2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-4-methyl-1H-pyrimidin-6-one?
2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 273.32 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135407992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).