2-[1-[3-[(dimethylamino)methyl]furo[2,3-c]pyridin-7-yl]ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine

C17H18F3N5OS — CID 54084963

IUPAC2-[1-[3-[(dimethylamino)methyl]furo[2,3-c]pyridin-7-yl]ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCC(Sc1nc(N)cc(C(F)(F)F)n1)c1nccc2c(CN(C)C)coc12
InChIInChI=1S/C17H18F3N5OS/c1-9(27-16-23-12(17(18,19)20)6-13(21)24-16)14-15-11(4-5-22-14)10(8-26-15)7-25(2)3/h4-6,8-9H,7H2,1-3H3,(H2,21,23,24)
InChIKeyMPUKUMQMZCOIBY-UHFFFAOYSA-N
MW397.43 g/mol
LogP4.13
Rot. Bonds5

About 2-[1-[3-[(dimethylamino)methyl]furo[2,3-c]pyridin-7-yl]ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine

2-[1-[3-[(dimethylamino)methyl]furo[2,3-c]pyridin-7-yl]ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 54084963) 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-7-yl]ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-[1-[3-[(dimethylamino)methyl]furo[2,3-c]pyridin-7-yl]ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID54084963
Molecular FormulaC17H18F3N5OS
Molecular Weight397.43 g/mol
Exact Mass397.12
IUPAC Name2-[1-[3-[(dimethylamino)methyl]furo[2,3-c]pyridin-7-yl]ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCC(Sc1nc(N)cc(C(F)(F)F)n1)c1nccc2c(CN(C)C)coc12
InChIInChI=1S/C17H18F3N5OS/c1-9(27-16-23-12(17(18,19)20)6-13(21)24-16)14-15-11(4-5-22-14)10(8-26-15)7-25(2)3/h4-6,8-9H,7H2,1-3H3,(H2,21,23,24)
InChIKeyMPUKUMQMZCOIBY-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

Analyze 2-[1-[3-[(dimethylamino)methyl]furo[2,3-c]pyridin-7-yl]ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-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

Related Compounds

Pnu-142721
CID 446309
6-Chloro-2-(1-furo[2,3-c]pyridin-5-ylethylsulfanyl)pyrimidin-4-amine
CID 1857
(+)-6-Chloro-2-(furano[3,2-d]pyridin-5-ylethylthio)pyrimidine-4-ylamine
CID 473448
7-(2-fluorobenzyl)-4-(2-furyl)-7H-pyrrolo[2,3-d]pyrimidine-2-amine
CID 9904688
4-(2-Furyl)-2-({3-oxo-3-[4-(2-pyridinyl)-1-piperazinyl]propyl}thio)-6-(trifluoromethyl)pyrimidine
CID 2964177
5-(2-Morpholin-4-ylfuro[3,2-d]pyrimidin-4-yl)pyrimidin-2-amine
CID 71811742
4-Pyrimidinamine, 6-chloro-2-(((1S)-1-(3-methylfuro(2,3-c)pyridin-5-yl)ethyl)thio)-
CID 491772
3-(4-Furan-2-yl-6-trifluoromethyl-pyrimidin-2-ylsulfanyl)-N-pyridin-2-ylmethyl-propionamide
CID 646960
2-(Benzylthio)-4-(2-furyl)pyrimidine
CID 2824246
2-(1-Furo[2,3-c]pyridin-5-ylethylsulfanyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 492761
2-[1-(7-Chloro-2-methyl-furo[2,3-c]pyridin-5-yl)ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 492763
2-[1-(2-Methylfuro[2,3-c]pyridin-5-yl)ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 492801

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-[(dimethylamino)methyl]furo[2,3-c]pyridin-7-yl]ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 2-[1-[3-[(dimethylamino)methyl]furo[2,3-c]pyridin-7-yl]ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine (CID 54084963) is 2-[1-[3-[(dimethylamino)methyl]furo[2,3-c]pyridin-7-yl]ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-[1-[3-[(dimethylamino)methyl]furo[2,3-c]pyridin-7-yl]ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 2-[1-[3-[(dimethylamino)methyl]furo[2,3-c]pyridin-7-yl]ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine is CC(Sc1nc(N)cc(C(F)(F)F)n1)c1nccc2c(CN(C)C)coc12.
What is the InChIKey of 2-[1-[3-[(dimethylamino)methyl]furo[2,3-c]pyridin-7-yl]ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is MPUKUMQMZCOIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N5OS/c1-9(27-16-23-12(17(18,19)20)6-13(21)24-16)14-15-11(4-5-22-14)10(8-26-15)7-25(2)3/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-7-yl]ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine?
2-[1-[3-[(dimethylamino)methyl]furo[2,3-c]pyridin-7-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-7-yl]ethylsulfanyl]-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 54084963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).