5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-methylsulfanylpyrimidin-4-amine

C12H9F2N5S — CID 142296682

IUPAC5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-methylsulfanylpyrimidin-4-amine
SMILESCSc1nc(-c2c[nH]c3ncc(F)cc23)nc(N)c1F
InChIInChI=1S/C12H9F2N5S/c1-20-12-8(14)9(15)18-11(19-12)7-4-17-10-6(7)2-5(13)3-16-10/h2-4H,1H3,(H,16,17)(H2,15,18,19)
InChIKeyGTSAFXKZBCKQOG-UHFFFAOYSA-N
MW293.30 g/mol
LogP2.60
Rot. Bonds2

About 5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-methylsulfanylpyrimidin-4-amine

5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-methylsulfanylpyrimidin-4-amine (PubChem CID 142296682) has the molecular formula C12H9F2N5S and a molecular weight of 293.30 g/mol. Its IUPAC name is 5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-methylsulfanylpyrimidin-4-amine
PubChem CID142296682
Molecular FormulaC12H9F2N5S
Molecular Weight293.30 g/mol
Exact Mass293.05
IUPAC Name5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-methylsulfanylpyrimidin-4-amine
SMILESCSc1nc(-c2c[nH]c3ncc(F)cc23)nc(N)c1F
InChIInChI=1S/C12H9F2N5S/c1-20-12-8(14)9(15)18-11(19-12)7-4-17-10-6(7)2-5(13)3-16-10/h2-4H,1H3,(H,16,17)(H2,15,18,19)
InChIKeyGTSAFXKZBCKQOG-UHFFFAOYSA-N
XLogP2.60
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-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

Related Compounds

ethane;5-fluoro-3-(5-fluoropyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine
CID 144524176
2-[1-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-methylsulfanylpyrimidin-4-yl]amino]ethyl]-4-methylpent-4-enoic acid
CID 142296670
3-fluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 67988162
ethane;5-fluoro-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 155733447
2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4,5-dihydropyrimidin-6-amine
CID 71267211
3-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-(2,2,2-trifluoroethylsulfanyl)pyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid
CID 138746339
methyl 3-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-imidazol-1-ylpyrimidin-4-yl]amino]-2-methylbutanoate
CID 170348814
2-N-[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-2-methyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 118343746
5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(2,2,5-trimethylhexan-3-yl)pyrimidin-4-amine
CID 78109709
(2S,3S)-3-[[6-tert-butylsulfanyl-5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylic acid;(2S,3S)-3-[[5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-(2,2,2-trifluoroethylsulfanyl)pyrimidin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylic acid
CID 158509809
8-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 166941689
(2S)-2-[3-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,2,4-triazin-5-yl]-2-(2,2,2-trifluoroethylamino)propanamide
CID 89488214

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-methylsulfanylpyrimidin-4-amine?
The IUPAC name of 5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-methylsulfanylpyrimidin-4-amine (CID 142296682) is 5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for 5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-methylsulfanylpyrimidin-4-amine is CSc1nc(-c2c[nH]c3ncc(F)cc23)nc(N)c1F.
What is the InChIKey of 5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-methylsulfanylpyrimidin-4-amine?
The InChIKey is GTSAFXKZBCKQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2N5S/c1-20-12-8(14)9(15)18-11(19-12)7-4-17-10-6(7)2-5(13)3-16-10/h2-4H,1H3,(H,16,17)(H2,15,18,19).
What are the key properties of 5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-methylsulfanylpyrimidin-4-amine?
5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-methylsulfanylpyrimidin-4-amine has a molecular weight of 293.30 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 142296682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).