5-iodo-2-methylidene-1H-pyrimidin-4-one

C5H5IN2O — CID 142177937

IUPAC5-iodo-2-methylidene-1H-pyrimidin-4-one
SMILESC=C1NC=C(I)C(=O)N1
InChIInChI=1S/C5H5IN2O/c1-3-7-2-4(6)5(9)8-3/h2,7H,1H2,(H,8,9)
InChIKeyZWXUBDBDXLCZTF-UHFFFAOYSA-N
MW236.01 g/mol
LogP0.45
Rot. Bonds

About 5-iodo-2-methylidene-1H-pyrimidin-4-one

5-iodo-2-methylidene-1H-pyrimidin-4-one (PubChem CID 142177937) has the molecular formula C5H5IN2O and a molecular weight of 236.01 g/mol. Its IUPAC name is 5-iodo-2-methylidene-1H-pyrimidin-4-one.

Molecular Properties

Compound Name5-iodo-2-methylidene-1H-pyrimidin-4-one
PubChem CID142177937
Molecular FormulaC5H5IN2O
Molecular Weight236.01 g/mol
Exact Mass235.94
IUPAC Name5-iodo-2-methylidene-1H-pyrimidin-4-one
SMILESC=C1NC=C(I)C(=O)N1
InChIInChI=1S/C5H5IN2O/c1-3-7-2-4(6)5(9)8-3/h2,7H,1H2,(H,8,9)
InChIKeyZWXUBDBDXLCZTF-UHFFFAOYSA-N
XLogP0.45
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.01
LogP ≤ 50.45
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-iodo-2-methylidene-1H-pyrimidin-4-one?
The IUPAC name of 5-iodo-2-methylidene-1H-pyrimidin-4-one (CID 142177937) is 5-iodo-2-methylidene-1H-pyrimidin-4-one.
What is the SMILES notation for 5-iodo-2-methylidene-1H-pyrimidin-4-one?
The canonical SMILES for 5-iodo-2-methylidene-1H-pyrimidin-4-one is C=C1NC=C(I)C(=O)N1.
What is the InChIKey of 5-iodo-2-methylidene-1H-pyrimidin-4-one?
The InChIKey is ZWXUBDBDXLCZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5IN2O/c1-3-7-2-4(6)5(9)8-3/h2,7H,1H2,(H,8,9).
What are the key properties of 5-iodo-2-methylidene-1H-pyrimidin-4-one?
5-iodo-2-methylidene-1H-pyrimidin-4-one has a molecular weight of 236.01 g/mol, XLogP of 0.45, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-methylidene-1H-pyrimidin-4-one is sourced from PubChem (CID 142177937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).