6-(2-fluoro-4-iodoanilino)-5-(4-hydroxy-1,2-oxazolidine-2-carbonyl)-1,3-dimethylpyrimidine-2,4-dione

C16H16FIN4O5 — CID 25108959

IUPAC6-(2-fluoro-4-iodoanilino)-5-(4-hydroxy-1,2-oxazolidine-2-carbonyl)-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(Nc2ccc(I)cc2F)c(C(=O)N2CC(O)CO2)c(=O)n(C)c1=O
InChIInChI=1S/C16H16FIN4O5/c1-20-13(19-11-4-3-8(18)5-10(11)17)12(14(24)21(2)16(20)26)15(25)22-6-9(23)7-27-22/h3-5,9,19,23H,6-7H2,1-2H3
InChIKeyGRRSVBGDVNRALA-UHFFFAOYSA-N
MW490.23 g/mol
LogP0.32
Rot. Bonds3

About 6-(2-fluoro-4-iodoanilino)-5-(4-hydroxy-1,2-oxazolidine-2-carbonyl)-1,3-dimethylpyrimidine-2,4-dione

6-(2-fluoro-4-iodoanilino)-5-(4-hydroxy-1,2-oxazolidine-2-carbonyl)-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 25108959) has the molecular formula C16H16FIN4O5 and a molecular weight of 490.23 g/mol. Its IUPAC name is 6-(2-fluoro-4-iodoanilino)-5-(4-hydroxy-1,2-oxazolidine-2-carbonyl)-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(2-fluoro-4-iodoanilino)-5-(4-hydroxy-1,2-oxazolidine-2-carbonyl)-1,3-dimethylpyrimidine-2,4-dione
PubChem CID25108959
Molecular FormulaC16H16FIN4O5
Molecular Weight490.23 g/mol
Exact Mass490.01
IUPAC Name6-(2-fluoro-4-iodoanilino)-5-(4-hydroxy-1,2-oxazolidine-2-carbonyl)-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(Nc2ccc(I)cc2F)c(C(=O)N2CC(O)CO2)c(=O)n(C)c1=O
InChIInChI=1S/C16H16FIN4O5/c1-20-13(19-11-4-3-8(18)5-10(11)17)12(14(24)21(2)16(20)26)15(25)22-6-9(23)7-27-22/h3-5,9,19,23H,6-7H2,1-2H3
InChIKeyGRRSVBGDVNRALA-UHFFFAOYSA-N
XLogP0.32
TPSA105.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.23
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

6-(2-fluoro-4-iodoanilino)-5-(furan-2-carbonyl)-1,3-dimethylpyrimidine-2,4-dione
CID 25109796
[2-[4-(2-fluoro-4-iodoanilino)-1,3-dimethyl-2,6-dioxopyrimidin-5-yl]-2-oxoethyl] acetate
CID 25109799
4-(2-fluoro-4-iodoanilino)-N-(3-hydroxypropyl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide
CID 67523092
N-[(3S)-3,4-dihydroxybutoxy]-4-(2-fluoro-4-iodoanilino)-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide
CID 25108961
5-acetyl-4-fluoro-2-(2-fluoro-4-iodoanilino)-1-methylpyrrole-3-carboxylic acid
CID 25188086
1-[5-(2-fluoro-4-iodoanilino)-4-(3-hydroxypyrrolidine-1-carbonyl)-1-methylpyrrol-2-yl]ethanone
CID 67156929
4-[(2-fluoro-4-iodoanilino)methoxy]-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide
CID 91604554
N-cyclopropyl-2-(2-fluoro-4-iodoanilino)-4-hydroxy-1,5-dimethyl-6-oxopyridine-3-carboxamide
CID 169436317
6-(2-fluoro-4-iodoanilino)-2,5-dimethyl-4-oxofuro[3,2-c]pyridine-7-carboxylate
CID 140595554
5-(2-fluoro-4-iodoanilino)-3,6,8-trimethyl-1-[3-(morpholine-4-carbonyl)phenyl]pyrido[4,3-d]pyrimidine-2,4,7-trione
CID 71730705
1-[3-(azetidine-1-carbonyl)phenyl]-5-(2-fluoro-4-iodoanilino)-3,6,8-trimethylpyrido[4,3-d]pyrimidine-2,4,7-trione
CID 71730835
N-[(2R)-2,3-dihydroxypropoxy]-6-(2-fluoro-4-iodoanilino)-1-(fluoromethyl)-3-methyl-2,4-dioxopyrimidine-5-carboxamide;N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-6-(2-fluoro-4-iodoanilino)-1-(fluoromethyl)-3-methyl-2,4-dioxopyrimidine-5-carboxamide
CID 159116067

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-4-iodoanilino)-5-(4-hydroxy-1,2-oxazolidine-2-carbonyl)-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-(2-fluoro-4-iodoanilino)-5-(4-hydroxy-1,2-oxazolidine-2-carbonyl)-1,3-dimethylpyrimidine-2,4-dione (CID 25108959) is 6-(2-fluoro-4-iodoanilino)-5-(4-hydroxy-1,2-oxazolidine-2-carbonyl)-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-(2-fluoro-4-iodoanilino)-5-(4-hydroxy-1,2-oxazolidine-2-carbonyl)-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-(2-fluoro-4-iodoanilino)-5-(4-hydroxy-1,2-oxazolidine-2-carbonyl)-1,3-dimethylpyrimidine-2,4-dione is Cn1c(Nc2ccc(I)cc2F)c(C(=O)N2CC(O)CO2)c(=O)n(C)c1=O.
What is the InChIKey of 6-(2-fluoro-4-iodoanilino)-5-(4-hydroxy-1,2-oxazolidine-2-carbonyl)-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is GRRSVBGDVNRALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FIN4O5/c1-20-13(19-11-4-3-8(18)5-10(11)17)12(14(24)21(2)16(20)26)15(25)22-6-9(23)7-27-22/h3-5,9,19,23H,6-7H2,1-2H3.
What are the key properties of 6-(2-fluoro-4-iodoanilino)-5-(4-hydroxy-1,2-oxazolidine-2-carbonyl)-1,3-dimethylpyrimidine-2,4-dione?
6-(2-fluoro-4-iodoanilino)-5-(4-hydroxy-1,2-oxazolidine-2-carbonyl)-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 490.23 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoro-4-iodoanilino)-5-(4-hydroxy-1,2-oxazolidine-2-carbonyl)-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 25108959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).