6-methylsulfanyl-2-[1-[3-(trifluoromethyl)furo[2,3-c]pyridin-5-yl]ethylsulfanyl]pyrimidin-4-amine

C15H13F3N4OS2 — CID 23293798

IUPAC6-methylsulfanyl-2-[1-[3-(trifluoromethyl)furo[2,3-c]pyridin-5-yl]ethylsulfanyl]pyrimidin-4-amine
SMILESCSc1cc(N)nc(SC(C)c2cc3c(C(F)(F)F)coc3cn2)n1
InChIInChI=1S/C15H13F3N4OS2/c1-7(25-14-21-12(19)4-13(22-14)24-2)10-3-8-9(15(16,17)18)6-23-11(8)5-20-10/h3-7H,1-2H3,(H2,19,21,22)
InChIKeyGSPCZUNLUNOMBF-UHFFFAOYSA-N
MW386.42 g/mol
LogP4.79
Rot. Bonds4

About 6-methylsulfanyl-2-[1-[3-(trifluoromethyl)furo[2,3-c]pyridin-5-yl]ethylsulfanyl]pyrimidin-4-amine

6-methylsulfanyl-2-[1-[3-(trifluoromethyl)furo[2,3-c]pyridin-5-yl]ethylsulfanyl]pyrimidin-4-amine (PubChem CID 23293798) has the molecular formula C15H13F3N4OS2 and a molecular weight of 386.42 g/mol. Its IUPAC name is 6-methylsulfanyl-2-[1-[3-(trifluoromethyl)furo[2,3-c]pyridin-5-yl]ethylsulfanyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methylsulfanyl-2-[1-[3-(trifluoromethyl)furo[2,3-c]pyridin-5-yl]ethylsulfanyl]pyrimidin-4-amine
PubChem CID23293798
Molecular FormulaC15H13F3N4OS2
Molecular Weight386.42 g/mol
Exact Mass386.05
IUPAC Name6-methylsulfanyl-2-[1-[3-(trifluoromethyl)furo[2,3-c]pyridin-5-yl]ethylsulfanyl]pyrimidin-4-amine
SMILESCSc1cc(N)nc(SC(C)c2cc3c(C(F)(F)F)coc3cn2)n1
InChIInChI=1S/C15H13F3N4OS2/c1-7(25-14-21-12(19)4-13(22-14)24-2)10-3-8-9(15(16,17)18)6-23-11(8)5-20-10/h3-7H,1-2H3,(H2,19,21,22)
InChIKeyGSPCZUNLUNOMBF-UHFFFAOYSA-N
XLogP4.79
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methylsulfanyl-2-[1-[3-(trifluoromethyl)furo[2,3-c]pyridin-5-yl]ethylsulfanyl]pyrimidin-4-amine?
The IUPAC name of 6-methylsulfanyl-2-[1-[3-(trifluoromethyl)furo[2,3-c]pyridin-5-yl]ethylsulfanyl]pyrimidin-4-amine (CID 23293798) is 6-methylsulfanyl-2-[1-[3-(trifluoromethyl)furo[2,3-c]pyridin-5-yl]ethylsulfanyl]pyrimidin-4-amine.
What is the SMILES notation for 6-methylsulfanyl-2-[1-[3-(trifluoromethyl)furo[2,3-c]pyridin-5-yl]ethylsulfanyl]pyrimidin-4-amine?
The canonical SMILES for 6-methylsulfanyl-2-[1-[3-(trifluoromethyl)furo[2,3-c]pyridin-5-yl]ethylsulfanyl]pyrimidin-4-amine is CSc1cc(N)nc(SC(C)c2cc3c(C(F)(F)F)coc3cn2)n1.
What is the InChIKey of 6-methylsulfanyl-2-[1-[3-(trifluoromethyl)furo[2,3-c]pyridin-5-yl]ethylsulfanyl]pyrimidin-4-amine?
The InChIKey is GSPCZUNLUNOMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4OS2/c1-7(25-14-21-12(19)4-13(22-14)24-2)10-3-8-9(15(16,17)18)6-23-11(8)5-20-10/h3-7H,1-2H3,(H2,19,21,22).
What are the key properties of 6-methylsulfanyl-2-[1-[3-(trifluoromethyl)furo[2,3-c]pyridin-5-yl]ethylsulfanyl]pyrimidin-4-amine?
6-methylsulfanyl-2-[1-[3-(trifluoromethyl)furo[2,3-c]pyridin-5-yl]ethylsulfanyl]pyrimidin-4-amine has a molecular weight of 386.42 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfanyl-2-[1-[3-(trifluoromethyl)furo[2,3-c]pyridin-5-yl]ethylsulfanyl]pyrimidin-4-amine is sourced from PubChem (CID 23293798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).