5-(2-(131I)iodoethenyl)-1H-pyrimidine-2,4-dione

C6H5IN2O2 — CID 150870731

IUPAC5-(2-(131I)iodoethenyl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(C=C[131I])c(=O)[nH]1
InChIInChI=1S/C6H5IN2O2/c7-2-1-4-3-8-6(11)9-5(4)10/h1-3H,(H2,8,9,10,11)/i7+4
InChIKeyKTZDXHJATZVCLY-DMXXYFNZSA-N
MW268.02 g/mol
LogP0.47
Rot. Bonds1

About 5-(2-(131I)iodoethenyl)-1H-pyrimidine-2,4-dione

5-(2-(131I)iodoethenyl)-1H-pyrimidine-2,4-dione (PubChem CID 150870731) has the molecular formula C6H5IN2O2 and a molecular weight of 268.02 g/mol. Its IUPAC name is 5-(2-(131I)iodoethenyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(2-(131I)iodoethenyl)-1H-pyrimidine-2,4-dione
PubChem CID150870731
Molecular FormulaC6H5IN2O2
Molecular Weight268.02 g/mol
Exact Mass267.94
IUPAC Name5-(2-(131I)iodoethenyl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(C=C[131I])c(=O)[nH]1
InChIInChI=1S/C6H5IN2O2/c7-2-1-4-3-8-6(11)9-5(4)10/h1-3H,(H2,8,9,10,11)/i7+4
InChIKeyKTZDXHJATZVCLY-DMXXYFNZSA-N
XLogP0.47
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.02
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-(131I)iodoethenyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(2-(131I)iodoethenyl)-1H-pyrimidine-2,4-dione (CID 150870731) is 5-(2-(131I)iodoethenyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(2-(131I)iodoethenyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(2-(131I)iodoethenyl)-1H-pyrimidine-2,4-dione is O=c1[nH]cc(C=C[131I])c(=O)[nH]1.
What is the InChIKey of 5-(2-(131I)iodoethenyl)-1H-pyrimidine-2,4-dione?
The InChIKey is KTZDXHJATZVCLY-DMXXYFNZSA-N. The full InChI is InChI=1S/C6H5IN2O2/c7-2-1-4-3-8-6(11)9-5(4)10/h1-3H,(H2,8,9,10,11)/i7+4.
What are the key properties of 5-(2-(131I)iodoethenyl)-1H-pyrimidine-2,4-dione?
5-(2-(131I)iodoethenyl)-1H-pyrimidine-2,4-dione has a molecular weight of 268.02 g/mol, XLogP of 0.47, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-(131I)iodoethenyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 150870731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).