2,4-dioxo-1H-pyrimidine-5-carbonyl iodide

C5H3IN2O3 — CID 135171307

IUPAC2,4-dioxo-1H-pyrimidine-5-carbonyl iodide
SMILESO=C(I)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C5H3IN2O3/c6-3(9)2-1-7-5(11)8-4(2)10/h1H,(H2,7,8,10,11)
InChIKeyPOPWNIONKCQHMI-UHFFFAOYSA-N
MW265.99 g/mol
LogP-0.36
Rot. Bonds1

About 2,4-dioxo-1H-pyrimidine-5-carbonyl iodide

2,4-dioxo-1H-pyrimidine-5-carbonyl iodide (PubChem CID 135171307) has the molecular formula C5H3IN2O3 and a molecular weight of 265.99 g/mol. Its IUPAC name is 2,4-dioxo-1H-pyrimidine-5-carbonyl iodide.

Molecular Properties

Compound Name2,4-dioxo-1H-pyrimidine-5-carbonyl iodide
PubChem CID135171307
Molecular FormulaC5H3IN2O3
Molecular Weight265.99 g/mol
Exact Mass265.92
IUPAC Name2,4-dioxo-1H-pyrimidine-5-carbonyl iodide
SMILESO=C(I)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C5H3IN2O3/c6-3(9)2-1-7-5(11)8-4(2)10/h1H,(H2,7,8,10,11)
InChIKeyPOPWNIONKCQHMI-UHFFFAOYSA-N
XLogP-0.36
TPSA82.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.99
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-dioxo-1H-pyrimidine-5-carbothioic S-acid;silver
CID 162262036
lithium;2,4-dioxo-1H-pyrimidine-5-carboxylate;hydrate
CID 139189490
5-(2-chloroacetyl)-1H-pyrimidine-2,4-dione
CID 45080865
5-(2,2-dibromoacetyl)-1H-pyrimidine-2,4-dione
CID 102461642
hydroxymethyl 2,4-dioxo-1H-pyrimidine-5-carboxylate
CID 141245679
CID 101090583
CID 101090583
N-(5-bromo-1,3-thiazol-2-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 60654717
N-(2-aminoethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 60965324
5-iodo-1H-pyrimidine-2,4-dione
CID 66645095
5-hydroxy-1H-pyrimidine-2,4-dione;hydrate
CID 175729684
5-chloro-1H-pyrimidine-2,4-dione
CID 15758
2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)-methylamino]acetic acid
CID 28773328

Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-1H-pyrimidine-5-carbonyl iodide?
The IUPAC name of 2,4-dioxo-1H-pyrimidine-5-carbonyl iodide (CID 135171307) is 2,4-dioxo-1H-pyrimidine-5-carbonyl iodide.
What is the SMILES notation for 2,4-dioxo-1H-pyrimidine-5-carbonyl iodide?
The canonical SMILES for 2,4-dioxo-1H-pyrimidine-5-carbonyl iodide is O=C(I)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 2,4-dioxo-1H-pyrimidine-5-carbonyl iodide?
The InChIKey is POPWNIONKCQHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3IN2O3/c6-3(9)2-1-7-5(11)8-4(2)10/h1H,(H2,7,8,10,11).
What are the key properties of 2,4-dioxo-1H-pyrimidine-5-carbonyl iodide?
2,4-dioxo-1H-pyrimidine-5-carbonyl iodide has a molecular weight of 265.99 g/mol, XLogP of -0.36, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-1H-pyrimidine-5-carbonyl iodide is sourced from PubChem (CID 135171307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).