2-(5-bromo-3-ethylsulfonyl-2-pyridinyl)-6-methyl-7-(trifluoromethyl)-5H-imidazo[1,2-c]pyrimidine

C15H14BrF3N4O2S — CID 152543543

IUPAC2-(5-bromo-3-ethylsulfonyl-2-pyridinyl)-6-methyl-7-(trifluoromethyl)-5H-imidazo[1,2-c]pyrimidine
SMILESCCS(=O)(=O)c1cc(Br)cnc1-c1cn2c(n1)C=C(C(F)(F)F)N(C)C2
InChIInChI=1S/C15H14BrF3N4O2S/c1-3-26(24,25)11-4-9(16)6-20-14(11)10-7-23-8-22(2)12(15(17,18)19)5-13(23)21-10/h4-7H,3,8H2,1-2H3
InChIKeyYMAGGHRJGPDFOX-UHFFFAOYSA-N
MW451.27 g/mol
LogP3.31
Rot. Bonds3

About 2-(5-bromo-3-ethylsulfonyl-2-pyridinyl)-6-methyl-7-(trifluoromethyl)-5H-imidazo[1,2-c]pyrimidine

2-(5-bromo-3-ethylsulfonyl-2-pyridinyl)-6-methyl-7-(trifluoromethyl)-5H-imidazo[1,2-c]pyrimidine (PubChem CID 152543543) has the molecular formula C15H14BrF3N4O2S and a molecular weight of 451.27 g/mol. Its IUPAC name is 2-(5-bromo-3-ethylsulfonyl-2-pyridinyl)-6-methyl-7-(trifluoromethyl)-5H-imidazo[1,2-c]pyrimidine.

Molecular Properties

Compound Name2-(5-bromo-3-ethylsulfonyl-2-pyridinyl)-6-methyl-7-(trifluoromethyl)-5H-imidazo[1,2-c]pyrimidine
PubChem CID152543543
Molecular FormulaC15H14BrF3N4O2S
Molecular Weight451.27 g/mol
Exact Mass450.00
IUPAC Name2-(5-bromo-3-ethylsulfonyl-2-pyridinyl)-6-methyl-7-(trifluoromethyl)-5H-imidazo[1,2-c]pyrimidine
SMILESCCS(=O)(=O)c1cc(Br)cnc1-c1cn2c(n1)C=C(C(F)(F)F)N(C)C2
InChIInChI=1S/C15H14BrF3N4O2S/c1-3-26(24,25)11-4-9(16)6-20-14(11)10-7-23-8-22(2)12(15(17,18)19)5-13(23)21-10/h4-7H,3,8H2,1-2H3
InChIKeyYMAGGHRJGPDFOX-UHFFFAOYSA-N
XLogP3.31
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.27
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-(5-bromo-3-ethylsulfonyl-2-pyridinyl)-3-(1,1-difluoroethyl)-7-methylimidazo[4,5-c]pyridazine
CID 170041348
2-(5-bromo-3-ethylsulfonyl-2-pyridinyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-c]pyrimidine
CID 155730506
5-bromo-3-ethylsulfonyl-2-(1-methylimidazol-2-yl)pyridine
CID 126507940
7-(5-bromo-3-ethylsulfonyl-2-pyridinyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 156834140
6-bromo-2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-[1,3]oxazolo[5,4-b]pyridine
CID 137378448
2-(5-bromo-3-ethylsulfonyl-2-pyridinyl)-3-methyl-5-(1,1,2,3,3-pentafluoropropoxy)pyrimidin-4-one
CID 175586928
6-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-2-(1,1,2,2,2-pentafluoroethyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 118181867
2-(5-bromo-3-ethylsulfonyl-2-pyridinyl)-5-cyclopropyl-3,6-dimethylimidazo[4,5-c]pyridin-4-one
CID 170041474
3-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-6-methylpyridazine
CID 145380726
2-[3-ethylsulfonyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine
CID 142468729
[5-bromo-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-ethyl-imino-oxo-λ6-sulfane
CID 176948918
2-[3-ethylsulfonyl-5-(trifluoromethyl)-2-pyridinyl]-5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole
CID 154619153

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-ethylsulfonyl-2-pyridinyl)-6-methyl-7-(trifluoromethyl)-5H-imidazo[1,2-c]pyrimidine?
The IUPAC name of 2-(5-bromo-3-ethylsulfonyl-2-pyridinyl)-6-methyl-7-(trifluoromethyl)-5H-imidazo[1,2-c]pyrimidine (CID 152543543) is 2-(5-bromo-3-ethylsulfonyl-2-pyridinyl)-6-methyl-7-(trifluoromethyl)-5H-imidazo[1,2-c]pyrimidine.
What is the SMILES notation for 2-(5-bromo-3-ethylsulfonyl-2-pyridinyl)-6-methyl-7-(trifluoromethyl)-5H-imidazo[1,2-c]pyrimidine?
The canonical SMILES for 2-(5-bromo-3-ethylsulfonyl-2-pyridinyl)-6-methyl-7-(trifluoromethyl)-5H-imidazo[1,2-c]pyrimidine is CCS(=O)(=O)c1cc(Br)cnc1-c1cn2c(n1)C=C(C(F)(F)F)N(C)C2.
What is the InChIKey of 2-(5-bromo-3-ethylsulfonyl-2-pyridinyl)-6-methyl-7-(trifluoromethyl)-5H-imidazo[1,2-c]pyrimidine?
The InChIKey is YMAGGHRJGPDFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF3N4O2S/c1-3-26(24,25)11-4-9(16)6-20-14(11)10-7-23-8-22(2)12(15(17,18)19)5-13(23)21-10/h4-7H,3,8H2,1-2H3.
What are the key properties of 2-(5-bromo-3-ethylsulfonyl-2-pyridinyl)-6-methyl-7-(trifluoromethyl)-5H-imidazo[1,2-c]pyrimidine?
2-(5-bromo-3-ethylsulfonyl-2-pyridinyl)-6-methyl-7-(trifluoromethyl)-5H-imidazo[1,2-c]pyrimidine has a molecular weight of 451.27 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-ethylsulfonyl-2-pyridinyl)-6-methyl-7-(trifluoromethyl)-5H-imidazo[1,2-c]pyrimidine is sourced from PubChem (CID 152543543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).