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

C10H14IN3O — CID 66308649

IUPAC5-iodo-3-(piperidin-4-ylmethyl)pyrimidin-4-one
SMILESO=c1c(I)cncn1CC1CCNCC1
InChIInChI=1S/C10H14IN3O/c11-9-5-13-7-14(10(9)15)6-8-1-3-12-4-2-8/h5,7-8,12H,1-4,6H2
InChIKeySGYJGXWULVKYEY-UHFFFAOYSA-N
MW319.15 g/mol
LogP0.85
Rot. Bonds2

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

5-iodo-3-(piperidin-4-ylmethyl)pyrimidin-4-one (PubChem CID 66308649) has the molecular formula C10H14IN3O and a molecular weight of 319.15 g/mol. Its IUPAC name is 5-iodo-3-(piperidin-4-ylmethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-iodo-3-(piperidin-4-ylmethyl)pyrimidin-4-one
PubChem CID66308649
Molecular FormulaC10H14IN3O
Molecular Weight319.15 g/mol
Exact Mass319.02
IUPAC Name5-iodo-3-(piperidin-4-ylmethyl)pyrimidin-4-one
SMILESO=c1c(I)cncn1CC1CCNCC1
InChIInChI=1S/C10H14IN3O/c11-9-5-13-7-14(10(9)15)6-8-1-3-12-4-2-8/h5,7-8,12H,1-4,6H2
InChIKeySGYJGXWULVKYEY-UHFFFAOYSA-N
XLogP0.85
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 ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(piperidin-4-ylmethyl)pyrimidin-4-one?
The IUPAC name of 5-iodo-3-(piperidin-4-ylmethyl)pyrimidin-4-one (CID 66308649) is 5-iodo-3-(piperidin-4-ylmethyl)pyrimidin-4-one.
What is the SMILES notation for 5-iodo-3-(piperidin-4-ylmethyl)pyrimidin-4-one?
The canonical SMILES for 5-iodo-3-(piperidin-4-ylmethyl)pyrimidin-4-one is O=c1c(I)cncn1CC1CCNCC1.
What is the InChIKey of 5-iodo-3-(piperidin-4-ylmethyl)pyrimidin-4-one?
The InChIKey is SGYJGXWULVKYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN3O/c11-9-5-13-7-14(10(9)15)6-8-1-3-12-4-2-8/h5,7-8,12H,1-4,6H2.
What are the key properties of 5-iodo-3-(piperidin-4-ylmethyl)pyrimidin-4-one?
5-iodo-3-(piperidin-4-ylmethyl)pyrimidin-4-one has a molecular weight of 319.15 g/mol, XLogP of 0.85, 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-4-ylmethyl)pyrimidin-4-one is sourced from PubChem (CID 66308649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).