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

C12H11N5OS — CID 135500710

IUPAC4-amino-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one
SMILESNc1cc(=O)[nH]c(SCc2cn3ccccc3n2)n1
InChIInChI=1S/C12H11N5OS/c13-9-5-11(18)16-12(15-9)19-7-8-6-17-4-2-1-3-10(17)14-8/h1-6H,7H2,(H3,13,15,16,18)
InChIKeyAGIRIYFBDGFHSS-UHFFFAOYSA-N
MW273.32 g/mol
LogP1.29
Rot. Bonds3

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

4-amino-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one (PubChem CID 135500710) has the molecular formula C12H11N5OS and a molecular weight of 273.32 g/mol. Its IUPAC name is 4-amino-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one
PubChem CID135500710
Molecular FormulaC12H11N5OS
Molecular Weight273.32 g/mol
Exact Mass273.07
IUPAC Name4-amino-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one
SMILESNc1cc(=O)[nH]c(SCc2cn3ccccc3n2)n1
InChIInChI=1S/C12H11N5OS/c13-9-5-11(18)16-12(15-9)19-7-8-6-17-4-2-1-3-10(17)14-8/h1-6H,7H2,(H3,13,15,16,18)
InChIKeyAGIRIYFBDGFHSS-UHFFFAOYSA-N
XLogP1.29
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-2-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1H-pyrimidin-6-one
CID 135473743
2,3-bis(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)quinoxaline
CID 23821918
4-amino-2-(2-amino-2-phenylethyl)sulfanyl-1H-pyrimidin-6-one
CID 135965777
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzaldehyde
CID 113384643
4-amino-2-[(3-iodophenyl)methylsulfanyl]-1H-pyrimidin-6-one
CID 135476156
2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-4-propyl-1H-pyrimidin-6-one
CID 137316118
4-ethyl-3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-one
CID 112786106
2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
CID 17307793
1-(difluoromethyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzimidazole
CID 51280131
4-amino-2-[(2,4-dimethylphenyl)methylsulfanyl]-1H-pyrimidin-6-one
CID 135473640
4-amino-2-[(3-amino-4-bromophenyl)methylsulfanyl]-1H-pyrimidin-6-one
CID 136999058
4-amino-2-[(5-fluoro-3-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one
CID 136733822

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one (CID 135500710) is 4-amino-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one is Nc1cc(=O)[nH]c(SCc2cn3ccccc3n2)n1.
What is the InChIKey of 4-amino-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one?
The InChIKey is AGIRIYFBDGFHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5OS/c13-9-5-11(18)16-12(15-9)19-7-8-6-17-4-2-1-3-10(17)14-8/h1-6H,7H2,(H3,13,15,16,18).
What are the key properties of 4-amino-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one?
4-amino-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one has a molecular weight of 273.32 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135500710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).