2-tert-butyl-7-(trifluoromethylsulfinyl)imidazo[1,2-c]pyrimidine

C11H12F3N3OS — CID 176739190

IUPAC2-tert-butyl-7-(trifluoromethylsulfinyl)imidazo[1,2-c]pyrimidine
SMILESCC(C)(C)c1cn2cnc(S(=O)C(F)(F)F)cc2n1
InChIInChI=1S/C11H12F3N3OS/c1-10(2,3)7-5-17-6-15-9(4-8(17)16-7)19(18)11(12,13)14/h4-6H,1-3H3
InChIKeyYPGXGVKNQVUORA-UHFFFAOYSA-N
MW291.30 g/mol
LogP2.65
Rot. Bonds1

About 2-tert-butyl-7-(trifluoromethylsulfinyl)imidazo[1,2-c]pyrimidine

2-tert-butyl-7-(trifluoromethylsulfinyl)imidazo[1,2-c]pyrimidine (PubChem CID 176739190) has the molecular formula C11H12F3N3OS and a molecular weight of 291.30 g/mol. Its IUPAC name is 2-tert-butyl-7-(trifluoromethylsulfinyl)imidazo[1,2-c]pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-7-(trifluoromethylsulfinyl)imidazo[1,2-c]pyrimidine
PubChem CID176739190
Molecular FormulaC11H12F3N3OS
Molecular Weight291.30 g/mol
Exact Mass291.07
IUPAC Name2-tert-butyl-7-(trifluoromethylsulfinyl)imidazo[1,2-c]pyrimidine
SMILESCC(C)(C)c1cn2cnc(S(=O)C(F)(F)F)cc2n1
InChIInChI=1S/C11H12F3N3OS/c1-10(2,3)7-5-17-6-15-9(4-8(17)16-7)19(18)11(12,13)14/h4-6H,1-3H3
InChIKeyYPGXGVKNQVUORA-UHFFFAOYSA-N
XLogP2.65
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-5-methyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine
CID 176739052
2-tert-butyl-7-(difluoromethyl)-5-fluoroimidazo[1,2-c]pyrimidine
CID 176739162
2-tert-butyl-5-methoxy-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine
CID 176739047
2-tert-butyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine-5-carbonitrile
CID 176738935
2-tert-butyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-8-carbaldehyde
CID 83966713
2-(4-tert-butyl-2-ethylsulfonylphenyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine
CID 155076701
ethyl 2-tert-butylimidazo[1,2-a]pyridine-7-carboxylate
CID 66677880
1-[2,6-dichloro-4-(trifluoromethoxy)phenyl]-4-(trifluoromethylsulfinyl)imidazole
CID 19754606
2-[[5-ethylsulfanyl-6-[7-(1,1,2,2,2-pentafluoroethyl)imidazo[1,2-c]pyrimidin-2-yl]-3-pyridinyl]oxy]-2-methylpropanenitrile
CID 146467207
2-[5-(3,5-difluorophenyl)-3-ethylsulfinyl-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine;hydrate
CID 145075320
7-tert-butyl-1-(difluoromethyl)imidazo[1,2-a]pyrimidin-5-one
CID 176739475
2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine
CID 146589669

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7-(trifluoromethylsulfinyl)imidazo[1,2-c]pyrimidine?
The IUPAC name of 2-tert-butyl-7-(trifluoromethylsulfinyl)imidazo[1,2-c]pyrimidine (CID 176739190) is 2-tert-butyl-7-(trifluoromethylsulfinyl)imidazo[1,2-c]pyrimidine.
What is the SMILES notation for 2-tert-butyl-7-(trifluoromethylsulfinyl)imidazo[1,2-c]pyrimidine?
The canonical SMILES for 2-tert-butyl-7-(trifluoromethylsulfinyl)imidazo[1,2-c]pyrimidine is CC(C)(C)c1cn2cnc(S(=O)C(F)(F)F)cc2n1.
What is the InChIKey of 2-tert-butyl-7-(trifluoromethylsulfinyl)imidazo[1,2-c]pyrimidine?
The InChIKey is YPGXGVKNQVUORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3OS/c1-10(2,3)7-5-17-6-15-9(4-8(17)16-7)19(18)11(12,13)14/h4-6H,1-3H3.
What are the key properties of 2-tert-butyl-7-(trifluoromethylsulfinyl)imidazo[1,2-c]pyrimidine?
2-tert-butyl-7-(trifluoromethylsulfinyl)imidazo[1,2-c]pyrimidine has a molecular weight of 291.30 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-7-(trifluoromethylsulfinyl)imidazo[1,2-c]pyrimidine is sourced from PubChem (CID 176739190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).