1-[4-[4-(5-fluoro-4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]sulfonylphenyl]pyrrolidine-2,5-dione

C19H20FN5O5S — CID 154854082

IUPAC1-[4-[4-(5-fluoro-4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]sulfonylphenyl]pyrrolidine-2,5-dione
SMILESCc1nc(N2CCN(S(=O)(=O)c3ccc(N4C(=O)CCC4=O)cc3)CC2)[nH]c(=O)c1F
InChIInChI=1S/C19H20FN5O5S/c1-12-17(20)18(28)22-19(21-12)23-8-10-24(11-9-23)31(29,30)14-4-2-13(3-5-14)25-15(26)6-7-16(25)27/h2-5H,6-11H2,1H3,(H,21,22,28)
InChIKeyIROPMLFGOUAAOI-UHFFFAOYSA-N
MW449.46 g/mol
LogP0.38
Rot. Bonds4

About 1-[4-[4-(5-fluoro-4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]sulfonylphenyl]pyrrolidine-2,5-dione

1-[4-[4-(5-fluoro-4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]sulfonylphenyl]pyrrolidine-2,5-dione (PubChem CID 154854082) has the molecular formula C19H20FN5O5S and a molecular weight of 449.46 g/mol. Its IUPAC name is 1-[4-[4-(5-fluoro-4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]sulfonylphenyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[4-[4-(5-fluoro-4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]sulfonylphenyl]pyrrolidine-2,5-dione
PubChem CID154854082
Molecular FormulaC19H20FN5O5S
Molecular Weight449.46 g/mol
Exact Mass449.12
IUPAC Name1-[4-[4-(5-fluoro-4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]sulfonylphenyl]pyrrolidine-2,5-dione
SMILESCc1nc(N2CCN(S(=O)(=O)c3ccc(N4C(=O)CCC4=O)cc3)CC2)[nH]c(=O)c1F
InChIInChI=1S/C19H20FN5O5S/c1-12-17(20)18(28)22-19(21-12)23-8-10-24(11-9-23)31(29,30)14-4-2-13(3-5-14)25-15(26)6-7-16(25)27/h2-5H,6-11H2,1H3,(H,21,22,28)
InChIKeyIROPMLFGOUAAOI-UHFFFAOYSA-N
XLogP0.38
TPSA123.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.46
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-[4-[4-(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]sulfonylphenyl]pyrrolidine-2,5-dione
CID 122333204
1-[4-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]pyrrolidine-2,5-dione
CID 146022754
5-fluoro-4-methyl-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 154853631
1-[4-[4-[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazin-1-yl]sulfonylphenyl]pyrrolidine-2,5-dione
CID 122350100
2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-methylquinoxaline
CID 31007687
2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-methyl-1H-pyrimidin-6-one
CID 137169212
1-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]sulfonylphenyl]pyrrolidine-2,5-dione
CID 146022822
1-(4-fluorophenyl)sulfonyl-4-(6-methyl-2-pyridinyl)piperazine
CID 4585375
1-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]pyrrolidine-2,5-dione
CID 42347051
1-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]sulfonyl-N-methylpiperidine-4-carboxamide
CID 110350788
1-(4-fluorophenyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)piperazine
CID 648905
1-(3,4-difluorophenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 113081406

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(5-fluoro-4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]sulfonylphenyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[4-[4-(5-fluoro-4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]sulfonylphenyl]pyrrolidine-2,5-dione (CID 154854082) is 1-[4-[4-(5-fluoro-4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]sulfonylphenyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[4-[4-(5-fluoro-4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]sulfonylphenyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[4-[4-(5-fluoro-4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]sulfonylphenyl]pyrrolidine-2,5-dione is Cc1nc(N2CCN(S(=O)(=O)c3ccc(N4C(=O)CCC4=O)cc3)CC2)[nH]c(=O)c1F.
What is the InChIKey of 1-[4-[4-(5-fluoro-4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]sulfonylphenyl]pyrrolidine-2,5-dione?
The InChIKey is IROPMLFGOUAAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O5S/c1-12-17(20)18(28)22-19(21-12)23-8-10-24(11-9-23)31(29,30)14-4-2-13(3-5-14)25-15(26)6-7-16(25)27/h2-5H,6-11H2,1H3,(H,21,22,28).
What are the key properties of 1-[4-[4-(5-fluoro-4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]sulfonylphenyl]pyrrolidine-2,5-dione?
1-[4-[4-(5-fluoro-4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]sulfonylphenyl]pyrrolidine-2,5-dione has a molecular weight of 449.46 g/mol, XLogP of 0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(5-fluoro-4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazin-1-yl]sulfonylphenyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 154854082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).