2-[1-[3-(1,1,1,3,3,3-hexafluoropropan-2-yl)furo[2,3-c]pyridin-5-yl]ethylsulfanyl]-6-methylsulfanylpyrimidin-4-amine

C17H14F6N4OS2 — CID 23293874

IUPAC2-[1-[3-(1,1,1,3,3,3-hexafluoropropan-2-yl)furo[2,3-c]pyridin-5-yl]ethylsulfanyl]-6-methylsulfanylpyrimidin-4-amine
SMILESCSc1cc(N)nc(SC(C)c2cc3c(C(C(F)(F)F)C(F)(F)F)coc3cn2)n1
InChIInChI=1S/C17H14F6N4OS2/c1-7(30-15-26-12(24)4-13(27-15)29-2)10-3-8-9(6-28-11(8)5-25-10)14(16(18,19)20)17(21,22)23/h3-7,14H,1-2H3,(H2,24,26,27)
InChIKeyIRBVXIAESNTDCE-UHFFFAOYSA-N
MW468.45 g/mol
LogP5.98
Rot. Bonds5

About 2-[1-[3-(1,1,1,3,3,3-hexafluoropropan-2-yl)furo[2,3-c]pyridin-5-yl]ethylsulfanyl]-6-methylsulfanylpyrimidin-4-amine

2-[1-[3-(1,1,1,3,3,3-hexafluoropropan-2-yl)furo[2,3-c]pyridin-5-yl]ethylsulfanyl]-6-methylsulfanylpyrimidin-4-amine (PubChem CID 23293874) has the molecular formula C17H14F6N4OS2 and a molecular weight of 468.45 g/mol. Its IUPAC name is 2-[1-[3-(1,1,1,3,3,3-hexafluoropropan-2-yl)furo[2,3-c]pyridin-5-yl]ethylsulfanyl]-6-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[1-[3-(1,1,1,3,3,3-hexafluoropropan-2-yl)furo[2,3-c]pyridin-5-yl]ethylsulfanyl]-6-methylsulfanylpyrimidin-4-amine
PubChem CID23293874
Molecular FormulaC17H14F6N4OS2
Molecular Weight468.45 g/mol
Exact Mass468.05
IUPAC Name2-[1-[3-(1,1,1,3,3,3-hexafluoropropan-2-yl)furo[2,3-c]pyridin-5-yl]ethylsulfanyl]-6-methylsulfanylpyrimidin-4-amine
SMILESCSc1cc(N)nc(SC(C)c2cc3c(C(C(F)(F)F)C(F)(F)F)coc3cn2)n1
InChIInChI=1S/C17H14F6N4OS2/c1-7(30-15-26-12(24)4-13(27-15)29-2)10-3-8-9(6-28-11(8)5-25-10)14(16(18,19)20)17(21,22)23/h3-7,14H,1-2H3,(H2,24,26,27)
InChIKeyIRBVXIAESNTDCE-UHFFFAOYSA-N
XLogP5.98
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.45
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[1-[3-(1,1,1,3,3,3-hexafluoropropan-2-yl)furo[2,3-c]pyridin-5-yl]ethylsulfanyl]-6-methylsulfanylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(1,1,1,3,3,3-hexafluoropropan-2-yl)furo[2,3-c]pyridin-5-yl]ethylsulfanyl]-6-methylsulfanylpyrimidin-4-amine?
The IUPAC name of 2-[1-[3-(1,1,1,3,3,3-hexafluoropropan-2-yl)furo[2,3-c]pyridin-5-yl]ethylsulfanyl]-6-methylsulfanylpyrimidin-4-amine (CID 23293874) is 2-[1-[3-(1,1,1,3,3,3-hexafluoropropan-2-yl)furo[2,3-c]pyridin-5-yl]ethylsulfanyl]-6-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 2-[1-[3-(1,1,1,3,3,3-hexafluoropropan-2-yl)furo[2,3-c]pyridin-5-yl]ethylsulfanyl]-6-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for 2-[1-[3-(1,1,1,3,3,3-hexafluoropropan-2-yl)furo[2,3-c]pyridin-5-yl]ethylsulfanyl]-6-methylsulfanylpyrimidin-4-amine is CSc1cc(N)nc(SC(C)c2cc3c(C(C(F)(F)F)C(F)(F)F)coc3cn2)n1.
What is the InChIKey of 2-[1-[3-(1,1,1,3,3,3-hexafluoropropan-2-yl)furo[2,3-c]pyridin-5-yl]ethylsulfanyl]-6-methylsulfanylpyrimidin-4-amine?
The InChIKey is IRBVXIAESNTDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F6N4OS2/c1-7(30-15-26-12(24)4-13(27-15)29-2)10-3-8-9(6-28-11(8)5-25-10)14(16(18,19)20)17(21,22)23/h3-7,14H,1-2H3,(H2,24,26,27).
What are the key properties of 2-[1-[3-(1,1,1,3,3,3-hexafluoropropan-2-yl)furo[2,3-c]pyridin-5-yl]ethylsulfanyl]-6-methylsulfanylpyrimidin-4-amine?
2-[1-[3-(1,1,1,3,3,3-hexafluoropropan-2-yl)furo[2,3-c]pyridin-5-yl]ethylsulfanyl]-6-methylsulfanylpyrimidin-4-amine has a molecular weight of 468.45 g/mol, XLogP of 5.98, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(1,1,1,3,3,3-hexafluoropropan-2-yl)furo[2,3-c]pyridin-5-yl]ethylsulfanyl]-6-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 23293874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).