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

C11H15IN4O2 — CID 66309077

IUPAC5-iodo-3-(3-oxo-3-piperazin-1-ylpropyl)pyrimidin-4-one
SMILESO=C(CCn1cncc(I)c1=O)N1CCNCC1
InChIInChI=1S/C11H15IN4O2/c12-9-7-14-8-16(11(9)18)4-1-10(17)15-5-2-13-3-6-15/h7-8,13H,1-6H2
InChIKeyNNZSJGPBHKDJIP-UHFFFAOYSA-N
MW362.17 g/mol
LogP-0.33
Rot. Bonds3

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

5-iodo-3-(3-oxo-3-piperazin-1-ylpropyl)pyrimidin-4-one (PubChem CID 66309077) has the molecular formula C11H15IN4O2 and a molecular weight of 362.17 g/mol. Its IUPAC name is 5-iodo-3-(3-oxo-3-piperazin-1-ylpropyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-iodo-3-(3-oxo-3-piperazin-1-ylpropyl)pyrimidin-4-one
PubChem CID66309077
Molecular FormulaC11H15IN4O2
Molecular Weight362.17 g/mol
Exact Mass362.02
IUPAC Name5-iodo-3-(3-oxo-3-piperazin-1-ylpropyl)pyrimidin-4-one
SMILESO=C(CCn1cncc(I)c1=O)N1CCNCC1
InChIInChI=1S/C11H15IN4O2/c12-9-7-14-8-16(11(9)18)4-1-10(17)15-5-2-13-3-6-15/h7-8,13H,1-6H2
InChIKeyNNZSJGPBHKDJIP-UHFFFAOYSA-N
XLogP-0.33
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.17
LogP ≤ 5-0.33
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-(3-oxo-3-piperazin-1-ylpropyl)pyrimidin-4-one?
The IUPAC name of 5-iodo-3-(3-oxo-3-piperazin-1-ylpropyl)pyrimidin-4-one (CID 66309077) is 5-iodo-3-(3-oxo-3-piperazin-1-ylpropyl)pyrimidin-4-one.
What is the SMILES notation for 5-iodo-3-(3-oxo-3-piperazin-1-ylpropyl)pyrimidin-4-one?
The canonical SMILES for 5-iodo-3-(3-oxo-3-piperazin-1-ylpropyl)pyrimidin-4-one is O=C(CCn1cncc(I)c1=O)N1CCNCC1.
What is the InChIKey of 5-iodo-3-(3-oxo-3-piperazin-1-ylpropyl)pyrimidin-4-one?
The InChIKey is NNZSJGPBHKDJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IN4O2/c12-9-7-14-8-16(11(9)18)4-1-10(17)15-5-2-13-3-6-15/h7-8,13H,1-6H2.
What are the key properties of 5-iodo-3-(3-oxo-3-piperazin-1-ylpropyl)pyrimidin-4-one?
5-iodo-3-(3-oxo-3-piperazin-1-ylpropyl)pyrimidin-4-one has a molecular weight of 362.17 g/mol, XLogP of -0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-3-(3-oxo-3-piperazin-1-ylpropyl)pyrimidin-4-one is sourced from PubChem (CID 66309077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).