5-[5-fluoro-2-(4-methylsulfonylanilino)pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one

C19H19FN4O3S — CID 167438289

IUPAC5-[5-fluoro-2-(4-methylsulfonylanilino)pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one
SMILESCC(C)n1cc(-c2nc(Nc3ccc(S(C)(=O)=O)cc3)ncc2F)ccc1=O
InChIInChI=1S/C19H19FN4O3S/c1-12(2)24-11-13(4-9-17(24)25)18-16(20)10-21-19(23-18)22-14-5-7-15(8-6-14)28(3,26)27/h4-12H,1-3H3,(H,21,22,23)
InChIKeyZZLKADIEEIBPMV-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.17
Rot. Bonds5

About 5-[5-fluoro-2-(4-methylsulfonylanilino)pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one

5-[5-fluoro-2-(4-methylsulfonylanilino)pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one (PubChem CID 167438289) has the molecular formula C19H19FN4O3S and a molecular weight of 402.45 g/mol. Its IUPAC name is 5-[5-fluoro-2-(4-methylsulfonylanilino)pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name5-[5-fluoro-2-(4-methylsulfonylanilino)pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one
PubChem CID167438289
Molecular FormulaC19H19FN4O3S
Molecular Weight402.45 g/mol
Exact Mass402.12
IUPAC Name5-[5-fluoro-2-(4-methylsulfonylanilino)pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one
SMILESCC(C)n1cc(-c2nc(Nc3ccc(S(C)(=O)=O)cc3)ncc2F)ccc1=O
InChIInChI=1S/C19H19FN4O3S/c1-12(2)24-11-13(4-9-17(24)25)18-16(20)10-21-19(23-18)22-14-5-7-15(8-6-14)28(3,26)27/h4-12H,1-3H3,(H,21,22,23)
InChIKeyZZLKADIEEIBPMV-UHFFFAOYSA-N
XLogP3.17
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-fluoro-N-(4-methylsulfonylphenyl)-4-(3-propan-2-ylpyrazolo[1,5-a]pyridin-5-yl)pyrimidin-2-amine
CID 155281921
5-[5-fluoro-2-[(1-propan-2-ylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one
CID 171483359
5-[5-fluoro-2-[(5-morpholin-4-yl-2-pyridinyl)amino]pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one
CID 175582344
N,8-bis(4-methylsulfonylphenyl)quinazolin-2-amine
CID 175553544
3-fluoro-5-[5-fluoro-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one
CID 171483365
6-oxo-1-propan-2-ylpyridine-3-sulfonamide
CID 137402572
N-cyclopropyl-4-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 167187670
5-fluoro-7-[5-fluoro-2-(3-methoxy-4-piperazin-1-ylanilino)pyrimidin-4-yl]-1-propan-2-ylquinolin-4-one
CID 166120867
5-[[5-fluoro-4-(5-fluoro-4-oxo-1-propan-2-ylquinolin-7-yl)pyrimidin-2-yl]amino]-2-piperazin-1-ylbenzonitrile
CID 166121031
(2R,3R)-3-[2-(4-methylsulfonylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]oxybutan-2-ol
CID 45381193
5-fluoro-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]-4-phenylpyrimidin-2-amine
CID 59588148
5-[5-amino-3-(2,4-difluorophenyl)pyrazin-2-yl]-1-propan-2-ylpyridin-2-one
CID 69103237

Frequently Asked Questions

What is the IUPAC name of 5-[5-fluoro-2-(4-methylsulfonylanilino)pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one?
The IUPAC name of 5-[5-fluoro-2-(4-methylsulfonylanilino)pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one (CID 167438289) is 5-[5-fluoro-2-(4-methylsulfonylanilino)pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one.
What is the SMILES notation for 5-[5-fluoro-2-(4-methylsulfonylanilino)pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one?
The canonical SMILES for 5-[5-fluoro-2-(4-methylsulfonylanilino)pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one is CC(C)n1cc(-c2nc(Nc3ccc(S(C)(=O)=O)cc3)ncc2F)ccc1=O.
What is the InChIKey of 5-[5-fluoro-2-(4-methylsulfonylanilino)pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one?
The InChIKey is ZZLKADIEEIBPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O3S/c1-12(2)24-11-13(4-9-17(24)25)18-16(20)10-21-19(23-18)22-14-5-7-15(8-6-14)28(3,26)27/h4-12H,1-3H3,(H,21,22,23).
What are the key properties of 5-[5-fluoro-2-(4-methylsulfonylanilino)pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one?
5-[5-fluoro-2-(4-methylsulfonylanilino)pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one has a molecular weight of 402.45 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-fluoro-2-(4-methylsulfonylanilino)pyrimidin-4-yl]-1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 167438289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).