4-(2-fluoro-4-iodoanilino)-N-(3-hydroxypropyl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide

C16H18FIN4O4 — CID 67523092

IUPAC4-(2-fluoro-4-iodoanilino)-N-(3-hydroxypropyl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide
SMILESCn1c(Nc2ccc(I)cc2F)c(C(=O)NCCCO)c(=O)n(C)c1=O
InChIInChI=1S/C16H18FIN4O4/c1-21-13(20-11-5-4-9(18)8-10(11)17)12(14(24)19-6-3-7-23)15(25)22(2)16(21)26/h4-5,8,20,23H,3,6-7H2,1-2H3,(H,19,24)
InChIKeySCXPKMOALSGXOA-UHFFFAOYSA-N
MW476.25 g/mol
LogP0.68
Rot. Bonds6

About 4-(2-fluoro-4-iodoanilino)-N-(3-hydroxypropyl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide

4-(2-fluoro-4-iodoanilino)-N-(3-hydroxypropyl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide (PubChem CID 67523092) has the molecular formula C16H18FIN4O4 and a molecular weight of 476.25 g/mol. Its IUPAC name is 4-(2-fluoro-4-iodoanilino)-N-(3-hydroxypropyl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(2-fluoro-4-iodoanilino)-N-(3-hydroxypropyl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide
PubChem CID67523092
Molecular FormulaC16H18FIN4O4
Molecular Weight476.25 g/mol
Exact Mass476.04
IUPAC Name4-(2-fluoro-4-iodoanilino)-N-(3-hydroxypropyl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide
SMILESCn1c(Nc2ccc(I)cc2F)c(C(=O)NCCCO)c(=O)n(C)c1=O
InChIInChI=1S/C16H18FIN4O4/c1-21-13(20-11-5-4-9(18)8-10(11)17)12(14(24)19-6-3-7-23)15(25)22(2)16(21)26/h4-5,8,20,23H,3,6-7H2,1-2H3,(H,19,24)
InChIKeySCXPKMOALSGXOA-UHFFFAOYSA-N
XLogP0.68
TPSA105.36 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.25
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[(3S)-3,4-dihydroxybutoxy]-4-(2-fluoro-4-iodoanilino)-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide
CID 25108961
[2-[4-(2-fluoro-4-iodoanilino)-1,3-dimethyl-2,6-dioxopyrimidin-5-yl]-2-oxoethyl] acetate
CID 25109799
6-(2-fluoro-4-iodoanilino)-5-(furan-2-carbonyl)-1,3-dimethylpyrimidine-2,4-dione
CID 25109796
6-(2-fluoro-4-iodoanilino)-5-(4-hydroxy-1,2-oxazolidine-2-carbonyl)-1,3-dimethylpyrimidine-2,4-dione
CID 25108959
6-(2-chloro-4-iodoanilino)-N-(3-hydroxypropyl)-3,5-dimethyl-4-oxothieno[3,2-c]pyridine-7-carboxamide
CID 53357967
2-[4-(2-fluoro-4-iodoanilino)-5-(3-hydroxypropylcarbamoyl)-2-oxo-1-pyridinyl]acetic acid
CID 11283221
4-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethyl)-1,5-dimethyl-6-oxopyridazine-3-carboxamide
CID 16666565
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
5-acetyl-4-fluoro-2-(2-fluoro-4-iodoanilino)-1-methylpyrrole-3-carboxylic acid
CID 25188086
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
ethyl 4-(2-fluoroanilino)-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxylate
CID 25109868

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-iodoanilino)-N-(3-hydroxypropyl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide?
The IUPAC name of 4-(2-fluoro-4-iodoanilino)-N-(3-hydroxypropyl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide (CID 67523092) is 4-(2-fluoro-4-iodoanilino)-N-(3-hydroxypropyl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide.
What is the SMILES notation for 4-(2-fluoro-4-iodoanilino)-N-(3-hydroxypropyl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide?
The canonical SMILES for 4-(2-fluoro-4-iodoanilino)-N-(3-hydroxypropyl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide is Cn1c(Nc2ccc(I)cc2F)c(C(=O)NCCCO)c(=O)n(C)c1=O.
What is the InChIKey of 4-(2-fluoro-4-iodoanilino)-N-(3-hydroxypropyl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide?
The InChIKey is SCXPKMOALSGXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FIN4O4/c1-21-13(20-11-5-4-9(18)8-10(11)17)12(14(24)19-6-3-7-23)15(25)22(2)16(21)26/h4-5,8,20,23H,3,6-7H2,1-2H3,(H,19,24).
What are the key properties of 4-(2-fluoro-4-iodoanilino)-N-(3-hydroxypropyl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide?
4-(2-fluoro-4-iodoanilino)-N-(3-hydroxypropyl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide has a molecular weight of 476.25 g/mol, XLogP of 0.68, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-iodoanilino)-N-(3-hydroxypropyl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide is sourced from PubChem (CID 67523092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).