N-iodo-2,4-dioxo-1H-pyrimidine-6-carboxamide

C5H4IN3O3 — CID 129203750

IUPACN-iodo-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESO=C(NI)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C5H4IN3O3/c6-9-4(11)2-1-3(10)8-5(12)7-2/h1H,(H,9,11)(H2,7,8,10,12)
InChIKeyWGLZUTVAUONOJK-UHFFFAOYSA-N
MW281.01 g/mol
LogP-0.86
Rot. Bonds1

About N-iodo-2,4-dioxo-1H-pyrimidine-6-carboxamide

N-iodo-2,4-dioxo-1H-pyrimidine-6-carboxamide (PubChem CID 129203750) has the molecular formula C5H4IN3O3 and a molecular weight of 281.01 g/mol. Its IUPAC name is N-iodo-2,4-dioxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-iodo-2,4-dioxo-1H-pyrimidine-6-carboxamide
PubChem CID129203750
Molecular FormulaC5H4IN3O3
Molecular Weight281.01 g/mol
Exact Mass280.93
IUPAC NameN-iodo-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESO=C(NI)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C5H4IN3O3/c6-9-4(11)2-1-3(10)8-5(12)7-2/h1H,(H,9,11)(H2,7,8,10,12)
InChIKeyWGLZUTVAUONOJK-UHFFFAOYSA-N
XLogP-0.86
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.01
LogP ≤ 5-0.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-iodo-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of N-iodo-2,4-dioxo-1H-pyrimidine-6-carboxamide (CID 129203750) is N-iodo-2,4-dioxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for N-iodo-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for N-iodo-2,4-dioxo-1H-pyrimidine-6-carboxamide is O=C(NI)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of N-iodo-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The InChIKey is WGLZUTVAUONOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4IN3O3/c6-9-4(11)2-1-3(10)8-5(12)7-2/h1H,(H,9,11)(H2,7,8,10,12).
What are the key properties of N-iodo-2,4-dioxo-1H-pyrimidine-6-carboxamide?
N-iodo-2,4-dioxo-1H-pyrimidine-6-carboxamide has a molecular weight of 281.01 g/mol, XLogP of -0.86, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-iodo-2,4-dioxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 129203750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).