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

C15H13F3N6O5S — CID 14421835

IUPAC1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]sulfonylurea
SMILESCOc1cc(OC)nc(NC(=O)NS(=O)(=O)c2c(C(F)(F)F)nc3ccccn23)n1
InChIInChI=1S/C15H13F3N6O5S/c1-28-9-7-10(29-2)21-13(20-9)22-14(25)23-30(26,27)12-11(15(16,17)18)19-8-5-3-4-6-24(8)12/h3-7H,1-2H3,(H2,20,21,22,23,25)
InChIKeyUNBRNPJTCNLSKH-UHFFFAOYSA-N
MW446.37 g/mol
LogP1.67
Rot. Bonds5

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

1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]sulfonylurea (PubChem CID 14421835) has the molecular formula C15H13F3N6O5S and a molecular weight of 446.37 g/mol. Its IUPAC name is 1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]sulfonylurea.

Molecular Properties

Compound Name1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]sulfonylurea
PubChem CID14421835
Molecular FormulaC15H13F3N6O5S
Molecular Weight446.37 g/mol
Exact Mass446.06
IUPAC Name1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]sulfonylurea
SMILESCOc1cc(OC)nc(NC(=O)NS(=O)(=O)c2c(C(F)(F)F)nc3ccccn23)n1
InChIInChI=1S/C15H13F3N6O5S/c1-28-9-7-10(29-2)21-13(20-9)22-14(25)23-30(26,27)12-11(15(16,17)18)19-8-5-3-4-6-24(8)12/h3-7H,1-2H3,(H2,20,21,22,23,25)
InChIKeyUNBRNPJTCNLSKH-UHFFFAOYSA-N
XLogP1.67
TPSA136.81 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.37
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

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3-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]indole-1-carboxylic acid
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1-(4,6-dimethoxypyrimidin-2-yl)-3-(2-ethylsulfonylphenyl)sulfonylurea
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1-[2-(2,2-difluoro-1-hydroxyethyl)phenyl]sulfonyl-3-(4,6-dimethoxypyrimidin-2-yl)urea
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1-[4-methoxy-6-(trifluoromethoxy)pyrimidin-2-yl]-3-(2-methylsulfinylphenyl)sulfonylurea
CID 23178446
1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(2-fluoro-1-hydroxyethyl)phenyl]sulfonylurea
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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]sulfonylurea?
The IUPAC name of 1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]sulfonylurea (CID 14421835) is 1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]sulfonylurea.
What is the SMILES notation for 1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]sulfonylurea?
The canonical SMILES for 1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]sulfonylurea is COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2c(C(F)(F)F)nc3ccccn23)n1.
What is the InChIKey of 1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]sulfonylurea?
The InChIKey is UNBRNPJTCNLSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N6O5S/c1-28-9-7-10(29-2)21-13(20-9)22-14(25)23-30(26,27)12-11(15(16,17)18)19-8-5-3-4-6-24(8)12/h3-7H,1-2H3,(H2,20,21,22,23,25).
What are the key properties of 1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]sulfonylurea?
1-(4,6-dimethoxypyrimidin-2-yl)-3-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]sulfonylurea has a molecular weight of 446.37 g/mol, XLogP of 1.67, 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-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]sulfonylurea is sourced from PubChem (CID 14421835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).