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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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).