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

C15H10F6N4S — CID 146589669

IUPAC2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine
SMILESCCSc1cc(C(F)(F)F)cnc1-c1cn2cnc(C(F)(F)F)cc2n1
InChIInChI=1S/C15H10F6N4S/c1-2-26-10-3-8(14(16,17)18)5-22-13(10)9-6-25-7-23-11(15(19,20)21)4-12(25)24-9/h3-7H,2H2,1H3
InChIKeyHKMRWFPNCULZJJ-UHFFFAOYSA-N
MW392.33 g/mol
LogP4.94
Rot. Bonds3

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

2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine (PubChem CID 146589669) has the molecular formula C15H10F6N4S and a molecular weight of 392.33 g/mol. Its IUPAC name is 2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine.

Molecular Properties

Compound Name2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine
PubChem CID146589669
Molecular FormulaC15H10F6N4S
Molecular Weight392.33 g/mol
Exact Mass392.05
IUPAC Name2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine
SMILESCCSc1cc(C(F)(F)F)cnc1-c1cn2cnc(C(F)(F)F)cc2n1
InChIInChI=1S/C15H10F6N4S/c1-2-26-10-3-8(14(16,17)18)5-22-13(10)9-6-25-7-23-11(15(19,20)21)4-12(25)24-9/h3-7H,2H2,1H3
InChIKeyHKMRWFPNCULZJJ-UHFFFAOYSA-N
XLogP4.94
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.33
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine?
The IUPAC name of 2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine (CID 146589669) is 2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine.
What is the SMILES notation for 2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine?
The canonical SMILES for 2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine is CCSc1cc(C(F)(F)F)cnc1-c1cn2cnc(C(F)(F)F)cc2n1.
What is the InChIKey of 2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine?
The InChIKey is HKMRWFPNCULZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F6N4S/c1-2-26-10-3-8(14(16,17)18)5-22-13(10)9-6-25-7-23-11(15(19,20)21)4-12(25)24-9/h3-7H,2H2,1H3.
What are the key properties of 2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine?
2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine has a molecular weight of 392.33 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine is sourced from PubChem (CID 146589669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).