5-iodo-3-(piperidin-2-ylmethyl)pyrimidin-4-one

C10H14IN3O — CID 66308862

IUPAC5-iodo-3-(piperidin-2-ylmethyl)pyrimidin-4-one
SMILESO=c1c(I)cncn1CC1CCCCN1
InChIInChI=1S/C10H14IN3O/c11-9-5-12-7-14(10(9)15)6-8-3-1-2-4-13-8/h5,7-8,13H,1-4,6H2
InChIKeyZNQYWSIYTPVEAM-UHFFFAOYSA-N
MW319.15 g/mol
LogP0.99
Rot. Bonds2

About 5-iodo-3-(piperidin-2-ylmethyl)pyrimidin-4-one

5-iodo-3-(piperidin-2-ylmethyl)pyrimidin-4-one (PubChem CID 66308862) has the molecular formula C10H14IN3O and a molecular weight of 319.15 g/mol. Its IUPAC name is 5-iodo-3-(piperidin-2-ylmethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-iodo-3-(piperidin-2-ylmethyl)pyrimidin-4-one
PubChem CID66308862
Molecular FormulaC10H14IN3O
Molecular Weight319.15 g/mol
Exact Mass319.02
IUPAC Name5-iodo-3-(piperidin-2-ylmethyl)pyrimidin-4-one
SMILESO=c1c(I)cncn1CC1CCCCN1
InChIInChI=1S/C10H14IN3O/c11-9-5-12-7-14(10(9)15)6-8-3-1-2-4-13-8/h5,7-8,13H,1-4,6H2
InChIKeyZNQYWSIYTPVEAM-UHFFFAOYSA-N
XLogP0.99
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.15
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-iodo-3-(piperidin-2-ylmethyl)pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-iodo-3-(piperidin-2-ylmethyl)pyrimidin-4-one?
The IUPAC name of 5-iodo-3-(piperidin-2-ylmethyl)pyrimidin-4-one (CID 66308862) is 5-iodo-3-(piperidin-2-ylmethyl)pyrimidin-4-one.
What is the SMILES notation for 5-iodo-3-(piperidin-2-ylmethyl)pyrimidin-4-one?
The canonical SMILES for 5-iodo-3-(piperidin-2-ylmethyl)pyrimidin-4-one is O=c1c(I)cncn1CC1CCCCN1.
What is the InChIKey of 5-iodo-3-(piperidin-2-ylmethyl)pyrimidin-4-one?
The InChIKey is ZNQYWSIYTPVEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN3O/c11-9-5-12-7-14(10(9)15)6-8-3-1-2-4-13-8/h5,7-8,13H,1-4,6H2.
What are the key properties of 5-iodo-3-(piperidin-2-ylmethyl)pyrimidin-4-one?
5-iodo-3-(piperidin-2-ylmethyl)pyrimidin-4-one has a molecular weight of 319.15 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-3-(piperidin-2-ylmethyl)pyrimidin-4-one is sourced from PubChem (CID 66308862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).