4-[(2-fluoro-4-iodoanilino)methoxy]-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide

C14H14FIN4O4 — CID 91604554

IUPAC4-[(2-fluoro-4-iodoanilino)methoxy]-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide
SMILESCn1c(OCNc2ccc(I)cc2F)c(C(N)=O)c(=O)n(C)c1=O
InChIInChI=1S/C14H14FIN4O4/c1-19-12(22)10(11(17)21)13(20(2)14(19)23)24-6-18-9-4-3-7(16)5-8(9)15/h3-5,18H,6H2,1-2H3,(H2,17,21)
InChIKeyHRVNGNXXZBRCNS-UHFFFAOYSA-N
MW448.19 g/mol
LogP0.38
Rot. Bonds5

About 4-[(2-fluoro-4-iodoanilino)methoxy]-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide

4-[(2-fluoro-4-iodoanilino)methoxy]-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide (PubChem CID 91604554) has the molecular formula C14H14FIN4O4 and a molecular weight of 448.19 g/mol. Its IUPAC name is 4-[(2-fluoro-4-iodoanilino)methoxy]-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-[(2-fluoro-4-iodoanilino)methoxy]-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide
PubChem CID91604554
Molecular FormulaC14H14FIN4O4
Molecular Weight448.19 g/mol
Exact Mass448.00
IUPAC Name4-[(2-fluoro-4-iodoanilino)methoxy]-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide
SMILESCn1c(OCNc2ccc(I)cc2F)c(C(N)=O)c(=O)n(C)c1=O
InChIInChI=1S/C14H14FIN4O4/c1-19-12(22)10(11(17)21)13(20(2)14(19)23)24-6-18-9-4-3-7(16)5-8(9)15/h3-5,18H,6H2,1-2H3,(H2,17,21)
InChIKeyHRVNGNXXZBRCNS-UHFFFAOYSA-N
XLogP0.38
TPSA108.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.19
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'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
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
N'-(2-fluoro-4-iodophenyl)-2-(2-hydroxyethoxy)-1,5-dimethyl-6-oxopyridine-3-carbohydrazide
CID 142791554
6-[(2-fluoro-4-iodophenyl)methyl]-1,3-dimethyl-5-(piperazine-1-carbonyl)pyrimidine-2,4-dione
CID 58374880
2,4-difluoro-6-(2-fluoro-4-iodoanilino)benzamide
CID 71580064
5-acetyl-4-fluoro-2-(2-fluoro-4-iodoanilino)-1-methylpyrrole-3-carboxylic acid
CID 25188086
2-(2-fluoro-4-iodoanilino)-N-methoxy-1,5-dimethyl-6-oxopyridine-3-carboxamide
CID 59342492
5-chloro-4-(2-fluoro-4-iodoanilino)-1-(iodomethyl)-6-oxopyridazine-3-carboxamide
CID 67381015
2-(2-fluoro-4-iodoanilino)-1-methyl-4-(1-nitrosoindol-4-yl)oxy-6-oxopyridine-3-carboxamide
CID 154662818

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluoro-4-iodoanilino)methoxy]-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide?
The IUPAC name of 4-[(2-fluoro-4-iodoanilino)methoxy]-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide (CID 91604554) is 4-[(2-fluoro-4-iodoanilino)methoxy]-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide.
What is the SMILES notation for 4-[(2-fluoro-4-iodoanilino)methoxy]-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide?
The canonical SMILES for 4-[(2-fluoro-4-iodoanilino)methoxy]-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide is Cn1c(OCNc2ccc(I)cc2F)c(C(N)=O)c(=O)n(C)c1=O.
What is the InChIKey of 4-[(2-fluoro-4-iodoanilino)methoxy]-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide?
The InChIKey is HRVNGNXXZBRCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FIN4O4/c1-19-12(22)10(11(17)21)13(20(2)14(19)23)24-6-18-9-4-3-7(16)5-8(9)15/h3-5,18H,6H2,1-2H3,(H2,17,21).
What are the key properties of 4-[(2-fluoro-4-iodoanilino)methoxy]-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide?
4-[(2-fluoro-4-iodoanilino)methoxy]-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide has a molecular weight of 448.19 g/mol, XLogP of 0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluoro-4-iodoanilino)methoxy]-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide is sourced from PubChem (CID 91604554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).