2-(3-ethylsulfanyl-5-methoxy-2-pyridinyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine

C15H13F3N4OS — CID 166978580

IUPAC2-(3-ethylsulfanyl-5-methoxy-2-pyridinyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine
SMILESCCSc1cc(OC)cnc1-c1cn2cnc(C(F)(F)F)cc2n1
InChIInChI=1S/C15H13F3N4OS/c1-3-24-11-4-9(23-2)6-19-14(11)10-7-22-8-20-12(15(16,17)18)5-13(22)21-10/h4-8H,3H2,1-2H3
InChIKeyHCTABZFWHNJNLA-UHFFFAOYSA-N
MW354.36 g/mol
LogP3.93
Rot. Bonds4

About 2-(3-ethylsulfanyl-5-methoxy-2-pyridinyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine

2-(3-ethylsulfanyl-5-methoxy-2-pyridinyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine (PubChem CID 166978580) has the molecular formula C15H13F3N4OS and a molecular weight of 354.36 g/mol. Its IUPAC name is 2-(3-ethylsulfanyl-5-methoxy-2-pyridinyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine.

Molecular Properties

Compound Name2-(3-ethylsulfanyl-5-methoxy-2-pyridinyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine
PubChem CID166978580
Molecular FormulaC15H13F3N4OS
Molecular Weight354.36 g/mol
Exact Mass354.08
IUPAC Name2-(3-ethylsulfanyl-5-methoxy-2-pyridinyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine
SMILESCCSc1cc(OC)cnc1-c1cn2cnc(C(F)(F)F)cc2n1
InChIInChI=1S/C15H13F3N4OS/c1-3-24-11-4-9(23-2)6-19-14(11)10-7-22-8-20-12(15(16,17)18)5-13(22)21-10/h4-8H,3H2,1-2H3
InChIKeyHCTABZFWHNJNLA-UHFFFAOYSA-N
XLogP3.93
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine
CID 146589669
2-[3-ethylsulfanyl-5-(3-fluorophenyl)-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine
CID 146383944
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-[3-ethylsulfonyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine
CID 142468729
2-[3-ethylsulfinyl-5-(methylsulfanylmethoxy)-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine
CID 166978597
ethyl 4-ethylsulfanyl-1-methyl-3-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]pyrazole-5-carboxylate
CID 169180020
2-[[5-(ethylsulfonimidoyl)-6-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]-3-pyridinyl]oxy]-2-methylpropanenitrile
CID 146467202
7-bromo-2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine
CID 118973263
5-[3-ethylsulfanyl-5-(4-fluorophenyl)-2-pyridinyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 156834262
2-[5-(3,5-difluorophenyl)-3-ethylsulfinyl-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine;hydrate
CID 145075320
5-[3-ethylsulfanyl-5-(2-methylpyrazol-3-yl)-2-pyridinyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 156834125
3-ethylsulfinyl-2-[7-(trifluoromethyl)imidazo[1,2-c]pyrimidin-2-yl]quinoline
CID 145113536

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylsulfanyl-5-methoxy-2-pyridinyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine?
The IUPAC name of 2-(3-ethylsulfanyl-5-methoxy-2-pyridinyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine (CID 166978580) is 2-(3-ethylsulfanyl-5-methoxy-2-pyridinyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine.
What is the SMILES notation for 2-(3-ethylsulfanyl-5-methoxy-2-pyridinyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine?
The canonical SMILES for 2-(3-ethylsulfanyl-5-methoxy-2-pyridinyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine is CCSc1cc(OC)cnc1-c1cn2cnc(C(F)(F)F)cc2n1.
What is the InChIKey of 2-(3-ethylsulfanyl-5-methoxy-2-pyridinyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine?
The InChIKey is HCTABZFWHNJNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4OS/c1-3-24-11-4-9(23-2)6-19-14(11)10-7-22-8-20-12(15(16,17)18)5-13(22)21-10/h4-8H,3H2,1-2H3.
What are the key properties of 2-(3-ethylsulfanyl-5-methoxy-2-pyridinyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine?
2-(3-ethylsulfanyl-5-methoxy-2-pyridinyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine has a molecular weight of 354.36 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylsulfanyl-5-methoxy-2-pyridinyl)-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine is sourced from PubChem (CID 166978580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).