6-methylsulfanyl-2-[2-[3-(2,2,2-trifluoroethyl)furo[2,3-c]pyridin-5-yl]ethylsulfanyl]pyrimidin-4-amine

C16H15F3N4OS2 — CID 67601283

IUPAC6-methylsulfanyl-2-[2-[3-(2,2,2-trifluoroethyl)furo[2,3-c]pyridin-5-yl]ethylsulfanyl]pyrimidin-4-amine
SMILESCSc1cc(N)nc(SCCc2cc3c(CC(F)(F)F)coc3cn2)n1
InChIInChI=1S/C16H15F3N4OS2/c1-25-14-5-13(20)22-15(23-14)26-3-2-10-4-11-9(6-16(17,18)19)8-24-12(11)7-21-10/h4-5,7-8H,2-3,6H2,1H3,(H2,20,22,23)
InChIKeyRGZAKTGJCGFNGL-UHFFFAOYSA-N
MW400.45 g/mol
LogP4.36
Rot. Bonds6

About 6-methylsulfanyl-2-[2-[3-(2,2,2-trifluoroethyl)furo[2,3-c]pyridin-5-yl]ethylsulfanyl]pyrimidin-4-amine

6-methylsulfanyl-2-[2-[3-(2,2,2-trifluoroethyl)furo[2,3-c]pyridin-5-yl]ethylsulfanyl]pyrimidin-4-amine (PubChem CID 67601283) has the molecular formula C16H15F3N4OS2 and a molecular weight of 400.45 g/mol. Its IUPAC name is 6-methylsulfanyl-2-[2-[3-(2,2,2-trifluoroethyl)furo[2,3-c]pyridin-5-yl]ethylsulfanyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methylsulfanyl-2-[2-[3-(2,2,2-trifluoroethyl)furo[2,3-c]pyridin-5-yl]ethylsulfanyl]pyrimidin-4-amine
PubChem CID67601283
Molecular FormulaC16H15F3N4OS2
Molecular Weight400.45 g/mol
Exact Mass400.06
IUPAC Name6-methylsulfanyl-2-[2-[3-(2,2,2-trifluoroethyl)furo[2,3-c]pyridin-5-yl]ethylsulfanyl]pyrimidin-4-amine
SMILESCSc1cc(N)nc(SCCc2cc3c(CC(F)(F)F)coc3cn2)n1
InChIInChI=1S/C16H15F3N4OS2/c1-25-14-5-13(20)22-15(23-14)26-3-2-10-4-11-9(6-16(17,18)19)8-24-12(11)7-21-10/h4-5,7-8H,2-3,6H2,1H3,(H2,20,22,23)
InChIKeyRGZAKTGJCGFNGL-UHFFFAOYSA-N
XLogP4.36
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methylsulfanyl-2-[2-[3-(2,2,2-trifluoroethyl)furo[2,3-c]pyridin-5-yl]ethylsulfanyl]pyrimidin-4-amine?
The IUPAC name of 6-methylsulfanyl-2-[2-[3-(2,2,2-trifluoroethyl)furo[2,3-c]pyridin-5-yl]ethylsulfanyl]pyrimidin-4-amine (CID 67601283) is 6-methylsulfanyl-2-[2-[3-(2,2,2-trifluoroethyl)furo[2,3-c]pyridin-5-yl]ethylsulfanyl]pyrimidin-4-amine.
What is the SMILES notation for 6-methylsulfanyl-2-[2-[3-(2,2,2-trifluoroethyl)furo[2,3-c]pyridin-5-yl]ethylsulfanyl]pyrimidin-4-amine?
The canonical SMILES for 6-methylsulfanyl-2-[2-[3-(2,2,2-trifluoroethyl)furo[2,3-c]pyridin-5-yl]ethylsulfanyl]pyrimidin-4-amine is CSc1cc(N)nc(SCCc2cc3c(CC(F)(F)F)coc3cn2)n1.
What is the InChIKey of 6-methylsulfanyl-2-[2-[3-(2,2,2-trifluoroethyl)furo[2,3-c]pyridin-5-yl]ethylsulfanyl]pyrimidin-4-amine?
The InChIKey is RGZAKTGJCGFNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4OS2/c1-25-14-5-13(20)22-15(23-14)26-3-2-10-4-11-9(6-16(17,18)19)8-24-12(11)7-21-10/h4-5,7-8H,2-3,6H2,1H3,(H2,20,22,23).
What are the key properties of 6-methylsulfanyl-2-[2-[3-(2,2,2-trifluoroethyl)furo[2,3-c]pyridin-5-yl]ethylsulfanyl]pyrimidin-4-amine?
6-methylsulfanyl-2-[2-[3-(2,2,2-trifluoroethyl)furo[2,3-c]pyridin-5-yl]ethylsulfanyl]pyrimidin-4-amine has a molecular weight of 400.45 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfanyl-2-[2-[3-(2,2,2-trifluoroethyl)furo[2,3-c]pyridin-5-yl]ethylsulfanyl]pyrimidin-4-amine is sourced from PubChem (CID 67601283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).