5-iodo-3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one

C10H13IN4O2 — CID 66308651

IUPAC5-iodo-3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one
SMILESO=C(Cn1cncc(I)c1=O)N1CCNCC1
InChIInChI=1S/C10H13IN4O2/c11-8-5-13-7-15(10(8)17)6-9(16)14-3-1-12-2-4-14/h5,7,12H,1-4,6H2
InChIKeyQAIKBDILACBSIB-UHFFFAOYSA-N
MW348.14 g/mol
LogP-0.72
Rot. Bonds2

About 5-iodo-3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one

5-iodo-3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one (PubChem CID 66308651) has the molecular formula C10H13IN4O2 and a molecular weight of 348.14 g/mol. Its IUPAC name is 5-iodo-3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-iodo-3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one
PubChem CID66308651
Molecular FormulaC10H13IN4O2
Molecular Weight348.14 g/mol
Exact Mass348.01
IUPAC Name5-iodo-3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one
SMILESO=C(Cn1cncc(I)c1=O)N1CCNCC1
InChIInChI=1S/C10H13IN4O2/c11-8-5-13-7-15(10(8)17)6-9(16)14-3-1-12-2-4-14/h5,7,12H,1-4,6H2
InChIKeyQAIKBDILACBSIB-UHFFFAOYSA-N
XLogP-0.72
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.14
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one?
The IUPAC name of 5-iodo-3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one (CID 66308651) is 5-iodo-3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one.
What is the SMILES notation for 5-iodo-3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one?
The canonical SMILES for 5-iodo-3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one is O=C(Cn1cncc(I)c1=O)N1CCNCC1.
What is the InChIKey of 5-iodo-3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one?
The InChIKey is QAIKBDILACBSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13IN4O2/c11-8-5-13-7-15(10(8)17)6-9(16)14-3-1-12-2-4-14/h5,7,12H,1-4,6H2.
What are the key properties of 5-iodo-3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one?
5-iodo-3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one has a molecular weight of 348.14 g/mol, XLogP of -0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-3-(2-oxo-2-piperazin-1-ylethyl)pyrimidin-4-one is sourced from PubChem (CID 66308651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).