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

C17H13FIN3O4 — CID 25109796

IUPAC6-(2-fluoro-4-iodoanilino)-5-(furan-2-carbonyl)-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(Nc2ccc(I)cc2F)c(C(=O)c2ccco2)c(=O)n(C)c1=O
InChIInChI=1S/C17H13FIN3O4/c1-21-15(20-11-6-5-9(19)8-10(11)18)13(16(24)22(2)17(21)25)14(23)12-4-3-7-26-12/h3-8,20H,1-2H3
InChIKeyCJUFXQZEYPNWQY-UHFFFAOYSA-N
MW469.21 g/mol
LogP2.40
Rot. Bonds4

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

6-(2-fluoro-4-iodoanilino)-5-(furan-2-carbonyl)-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 25109796) has the molecular formula C17H13FIN3O4 and a molecular weight of 469.21 g/mol. Its IUPAC name is 6-(2-fluoro-4-iodoanilino)-5-(furan-2-carbonyl)-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(2-fluoro-4-iodoanilino)-5-(furan-2-carbonyl)-1,3-dimethylpyrimidine-2,4-dione
PubChem CID25109796
Molecular FormulaC17H13FIN3O4
Molecular Weight469.21 g/mol
Exact Mass468.99
IUPAC Name6-(2-fluoro-4-iodoanilino)-5-(furan-2-carbonyl)-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(Nc2ccc(I)cc2F)c(C(=O)c2ccco2)c(=O)n(C)c1=O
InChIInChI=1S/C17H13FIN3O4/c1-21-15(20-11-6-5-9(19)8-10(11)18)13(16(24)22(2)17(21)25)14(23)12-4-3-7-26-12/h3-8,20H,1-2H3
InChIKeyCJUFXQZEYPNWQY-UHFFFAOYSA-N
XLogP2.40
TPSA86.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.21
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[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
6-(2-fluoro-4-iodoanilino)-N-(2-methoxyethoxy)-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxamide
CID 86712551
N-cyclopropyl-2-(2-fluoro-4-iodoanilino)-4-hydroxy-1,5-dimethyl-6-oxopyridine-3-carboxamide
CID 169436317
4-[(2-fluoro-4-iodoanilino)methoxy]-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide
CID 91604554
3-(furan-2-carbonyl)-4-hydroxy-1,6-dimethylpyridin-2-one
CID 135719130
N-(4-iodo-2-methylphenyl)furan-2-carboxamide
CID 723686
2-(2-fluoro-4-iodoanilino)-N-methoxy-1,5-dimethyl-6-oxopyridine-3-carboxamide
CID 59342492
ethyl 4-(2-fluoroanilino)-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxylate
CID 25109868
6-(2-fluoro-4-iodoanilino)-5-methyl-2-methylsulfanyl-4-oxo-[1,3]thiazolo[5,4-c]pyridine-7-carboxylic acid
CID 67512258

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-4-iodoanilino)-5-(furan-2-carbonyl)-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-(2-fluoro-4-iodoanilino)-5-(furan-2-carbonyl)-1,3-dimethylpyrimidine-2,4-dione (CID 25109796) is 6-(2-fluoro-4-iodoanilino)-5-(furan-2-carbonyl)-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-(2-fluoro-4-iodoanilino)-5-(furan-2-carbonyl)-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-(2-fluoro-4-iodoanilino)-5-(furan-2-carbonyl)-1,3-dimethylpyrimidine-2,4-dione is Cn1c(Nc2ccc(I)cc2F)c(C(=O)c2ccco2)c(=O)n(C)c1=O.
What is the InChIKey of 6-(2-fluoro-4-iodoanilino)-5-(furan-2-carbonyl)-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is CJUFXQZEYPNWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FIN3O4/c1-21-15(20-11-6-5-9(19)8-10(11)18)13(16(24)22(2)17(21)25)14(23)12-4-3-7-26-12/h3-8,20H,1-2H3.
What are the key properties of 6-(2-fluoro-4-iodoanilino)-5-(furan-2-carbonyl)-1,3-dimethylpyrimidine-2,4-dione?
6-(2-fluoro-4-iodoanilino)-5-(furan-2-carbonyl)-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 469.21 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoro-4-iodoanilino)-5-(furan-2-carbonyl)-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 25109796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).