N-(4-iodophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide

C11H8IN3O3 — CID 60636479

IUPACN-(4-iodophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESO=C(Nc1ccc(I)cc1)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C11H8IN3O3/c12-6-1-3-7(4-2-6)13-10(17)8-5-9(16)15-11(18)14-8/h1-5H,(H,13,17)(H2,14,15,16,18)
InChIKeyBODBGIQBZUHERJ-UHFFFAOYSA-N
MW357.11 g/mol
LogP0.92
Rot. Bonds2

About N-(4-iodophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide

N-(4-iodophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide (PubChem CID 60636479) has the molecular formula C11H8IN3O3 and a molecular weight of 357.11 g/mol. Its IUPAC name is N-(4-iodophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(4-iodophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
PubChem CID60636479
Molecular FormulaC11H8IN3O3
Molecular Weight357.11 g/mol
Exact Mass356.96
IUPAC NameN-(4-iodophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESO=C(Nc1ccc(I)cc1)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C11H8IN3O3/c12-6-1-3-7(4-2-6)13-10(17)8-5-9(16)15-11(18)14-8/h1-5H,(H,13,17)(H2,14,15,16,18)
InChIKeyBODBGIQBZUHERJ-UHFFFAOYSA-N
XLogP0.92
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.11
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of N-(4-iodophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide (CID 60636479) is N-(4-iodophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for N-(4-iodophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for N-(4-iodophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide is O=C(Nc1ccc(I)cc1)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of N-(4-iodophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The InChIKey is BODBGIQBZUHERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8IN3O3/c12-6-1-3-7(4-2-6)13-10(17)8-5-9(16)15-11(18)14-8/h1-5H,(H,13,17)(H2,14,15,16,18).
What are the key properties of N-(4-iodophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
N-(4-iodophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide has a molecular weight of 357.11 g/mol, XLogP of 0.92, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 60636479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).