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

C17H18F3N5OS — CID 18799725

IUPAC2-[1-[3-[(dimethylamino)methyl]furo[2,3-c]pyridin-5-yl]ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCC(Sc1nc(N)cc(C(F)(F)F)n1)c1cc2c(CN(C)C)coc2cn1
InChIInChI=1S/C17H18F3N5OS/c1-9(27-16-23-14(17(18,19)20)5-15(21)24-16)12-4-11-10(7-25(2)3)8-26-13(11)6-22-12/h4-6,8-9H,7H2,1-3H3,(H2,21,23,24)
InChIKeyOVIPXEYDLIWYPY-UHFFFAOYSA-N
MW397.43 g/mol
LogP4.13
Rot. Bonds5

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

2-[1-[3-[(dimethylamino)methyl]furo[2,3-c]pyridin-5-yl]ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 18799725) has the molecular formula C17H18F3N5OS and a molecular weight of 397.43 g/mol. Its IUPAC name is 2-[1-[3-[(dimethylamino)methyl]furo[2,3-c]pyridin-5-yl]ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-[1-[3-[(dimethylamino)methyl]furo[2,3-c]pyridin-5-yl]ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID18799725
Molecular FormulaC17H18F3N5OS
Molecular Weight397.43 g/mol
Exact Mass397.12
IUPAC Name2-[1-[3-[(dimethylamino)methyl]furo[2,3-c]pyridin-5-yl]ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCC(Sc1nc(N)cc(C(F)(F)F)n1)c1cc2c(CN(C)C)coc2cn1
InChIInChI=1S/C17H18F3N5OS/c1-9(27-16-23-14(17(18,19)20)5-15(21)24-16)12-4-11-10(7-25(2)3)8-26-13(11)6-22-12/h4-6,8-9H,7H2,1-3H3,(H2,21,23,24)
InChIKeyOVIPXEYDLIWYPY-UHFFFAOYSA-N
XLogP4.13
TPSA81.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-[(dimethylamino)methyl]furo[2,3-c]pyridin-5-yl]ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 2-[1-[3-[(dimethylamino)methyl]furo[2,3-c]pyridin-5-yl]ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine (CID 18799725) is 2-[1-[3-[(dimethylamino)methyl]furo[2,3-c]pyridin-5-yl]ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-[1-[3-[(dimethylamino)methyl]furo[2,3-c]pyridin-5-yl]ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 2-[1-[3-[(dimethylamino)methyl]furo[2,3-c]pyridin-5-yl]ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine is CC(Sc1nc(N)cc(C(F)(F)F)n1)c1cc2c(CN(C)C)coc2cn1.
What is the InChIKey of 2-[1-[3-[(dimethylamino)methyl]furo[2,3-c]pyridin-5-yl]ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is OVIPXEYDLIWYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N5OS/c1-9(27-16-23-14(17(18,19)20)5-15(21)24-16)12-4-11-10(7-25(2)3)8-26-13(11)6-22-12/h4-6,8-9H,7H2,1-3H3,(H2,21,23,24).
What are the key properties of 2-[1-[3-[(dimethylamino)methyl]furo[2,3-c]pyridin-5-yl]ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine?
2-[1-[3-[(dimethylamino)methyl]furo[2,3-c]pyridin-5-yl]ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 397.43 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-[(dimethylamino)methyl]furo[2,3-c]pyridin-5-yl]ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 18799725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).