5-iodo-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one

C9H10IN3O2 — CID 136973281

IUPAC5-iodo-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one
SMILESO=C1CCN(c2nc[nH]c(=O)c2I)CC1
InChIInChI=1S/C9H10IN3O2/c10-7-8(11-5-12-9(7)15)13-3-1-6(14)2-4-13/h5H,1-4H2,(H,11,12,15)
InChIKeyLQDKANAQEKMRMK-UHFFFAOYSA-N
MW319.10 g/mol
LogP0.54
Rot. Bonds1

About 5-iodo-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one

5-iodo-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136973281) has the molecular formula C9H10IN3O2 and a molecular weight of 319.10 g/mol. Its IUPAC name is 5-iodo-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one
PubChem CID136973281
Molecular FormulaC9H10IN3O2
Molecular Weight319.10 g/mol
Exact Mass318.98
IUPAC Name5-iodo-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one
SMILESO=C1CCN(c2nc[nH]c(=O)c2I)CC1
InChIInChI=1S/C9H10IN3O2/c10-7-8(11-5-12-9(7)15)13-3-1-6(14)2-4-13/h5H,1-4H2,(H,11,12,15)
InChIKeyLQDKANAQEKMRMK-UHFFFAOYSA-N
XLogP0.54
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.10
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-4-[(2-oxo-2-piperidin-1-ylethyl)amino]-1H-pyrimidin-6-one
CID 136957096
5-iodo-4-[(3-oxo-3-piperidin-1-ylpropyl)amino]-1H-pyrimidin-6-one
CID 136957138
5-iodo-4-piperidin-1-yl-1H-pyrimidin-6-one
CID 136957378
5-iodo-4-(4-methoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136957474
5-iodo-4-(2-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136970679
4-[4-(5-aminopentyl)piperazin-1-yl]-5-iodo-1H-pyrimidin-6-one
CID 136972671
6-(4-Oxopiperidin-1-yl)-3,4-dihydropyrimidin-4-one
CID 136973274
5-chloro-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one
CID 136973279
5-bromo-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one
CID 136973280
5-amino-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one
CID 136973282
4-(3-acetylpiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one
CID 136973291
4-(4-acetylpiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one
CID 136973300

Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one (CID 136973281) is 5-iodo-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one is O=C1CCN(c2nc[nH]c(=O)c2I)CC1.
What is the InChIKey of 5-iodo-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is LQDKANAQEKMRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10IN3O2/c10-7-8(11-5-12-9(7)15)13-3-1-6(14)2-4-13/h5H,1-4H2,(H,11,12,15).
What are the key properties of 5-iodo-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one?
5-iodo-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 319.10 g/mol, XLogP of 0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-(4-oxopiperidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136973281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).