1-(4,6-dimethoxypyrimidin-2-yl)-3-imidazo[1,2-a]pyridin-3-ylsulfonylurea

C14H14N6O5S — CID 14421814

IUPAC1-(4,6-dimethoxypyrimidin-2-yl)-3-imidazo[1,2-a]pyridin-3-ylsulfonylurea
SMILESCOc1cc(OC)nc(NC(=O)NS(=O)(=O)c2cnc3ccccn23)n1
InChIInChI=1S/C14H14N6O5S/c1-24-10-7-11(25-2)17-13(16-10)18-14(21)19-26(22,23)12-8-15-9-5-3-4-6-20(9)12/h3-8H,1-2H3,(H2,16,17,18,19,21)
InChIKeyBKIONWBQQIDJED-UHFFFAOYSA-N
MW378.37 g/mol
LogP0.65
Rot. Bonds5

About 1-(4,6-dimethoxypyrimidin-2-yl)-3-imidazo[1,2-a]pyridin-3-ylsulfonylurea

1-(4,6-dimethoxypyrimidin-2-yl)-3-imidazo[1,2-a]pyridin-3-ylsulfonylurea (PubChem CID 14421814) has the molecular formula C14H14N6O5S and a molecular weight of 378.37 g/mol. Its IUPAC name is 1-(4,6-dimethoxypyrimidin-2-yl)-3-imidazo[1,2-a]pyridin-3-ylsulfonylurea.

Molecular Properties

Compound Name1-(4,6-dimethoxypyrimidin-2-yl)-3-imidazo[1,2-a]pyridin-3-ylsulfonylurea
PubChem CID14421814
Molecular FormulaC14H14N6O5S
Molecular Weight378.37 g/mol
Exact Mass378.07
IUPAC Name1-(4,6-dimethoxypyrimidin-2-yl)-3-imidazo[1,2-a]pyridin-3-ylsulfonylurea
SMILESCOc1cc(OC)nc(NC(=O)NS(=O)(=O)c2cnc3ccccn23)n1
InChIInChI=1S/C14H14N6O5S/c1-24-10-7-11(25-2)17-13(16-10)18-14(21)19-26(22,23)12-8-15-9-5-3-4-6-20(9)12/h3-8H,1-2H3,(H2,16,17,18,19,21)
InChIKeyBKIONWBQQIDJED-UHFFFAOYSA-N
XLogP0.65
TPSA136.81 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.37
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

1-(2-bromoimidazo[1,2-a]pyridin-3-yl)sulfonyl-3-(4,6-dimethoxypyrimidin-2-yl)urea
CID 14421903
1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]sulfonylurea
CID 14421835
2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-6-methoxypyridine-3-carboxylic acid
CID 21273967
1-(4,6-dimethoxypyrimidin-2-yl)-3-(2-ethylsulfonylphenyl)sulfonylurea
CID 154343693
1-[2-(2,2-difluoro-1-hydroxyethyl)phenyl]sulfonyl-3-(4,6-dimethoxypyrimidin-2-yl)urea
CID 18934189
2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]pyridine-3-carboxylic acid
CID 19390517
3-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]indole-1-carboxylic acid
CID 70416029
1-(2-hydroxyphenyl)sulfonyl-3-(4-methoxy-6-methylpyrimidin-2-yl)urea
CID 14774716
1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(methylsulfanylmethyl)phenyl]sulfonylurea
CID 13057427
N-[2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]phenyl]-2,2,2-trifluoroacetamide
CID 3641925
1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(2-fluoro-1-hydroxyethyl)phenyl]sulfonylurea
CID 18934187
1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-[(1S,2R)-2-fluoro-1-hydroxypropyl]phenyl]sulfonylurea
CID 101077371

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethoxypyrimidin-2-yl)-3-imidazo[1,2-a]pyridin-3-ylsulfonylurea?
The IUPAC name of 1-(4,6-dimethoxypyrimidin-2-yl)-3-imidazo[1,2-a]pyridin-3-ylsulfonylurea (CID 14421814) is 1-(4,6-dimethoxypyrimidin-2-yl)-3-imidazo[1,2-a]pyridin-3-ylsulfonylurea.
What is the SMILES notation for 1-(4,6-dimethoxypyrimidin-2-yl)-3-imidazo[1,2-a]pyridin-3-ylsulfonylurea?
The canonical SMILES for 1-(4,6-dimethoxypyrimidin-2-yl)-3-imidazo[1,2-a]pyridin-3-ylsulfonylurea is COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2cnc3ccccn23)n1.
What is the InChIKey of 1-(4,6-dimethoxypyrimidin-2-yl)-3-imidazo[1,2-a]pyridin-3-ylsulfonylurea?
The InChIKey is BKIONWBQQIDJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O5S/c1-24-10-7-11(25-2)17-13(16-10)18-14(21)19-26(22,23)12-8-15-9-5-3-4-6-20(9)12/h3-8H,1-2H3,(H2,16,17,18,19,21).
What are the key properties of 1-(4,6-dimethoxypyrimidin-2-yl)-3-imidazo[1,2-a]pyridin-3-ylsulfonylurea?
1-(4,6-dimethoxypyrimidin-2-yl)-3-imidazo[1,2-a]pyridin-3-ylsulfonylurea has a molecular weight of 378.37 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethoxypyrimidin-2-yl)-3-imidazo[1,2-a]pyridin-3-ylsulfonylurea is sourced from PubChem (CID 14421814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).