5-iodo-3-(2-pyridin-3-ylethyl)pyrimidin-4-one

C11H10IN3O — CID 66310563

IUPAC5-iodo-3-(2-pyridin-3-ylethyl)pyrimidin-4-one
SMILESO=c1c(I)cncn1CCc1cccnc1
InChIInChI=1S/C11H10IN3O/c12-10-7-14-8-15(11(10)16)5-3-9-2-1-4-13-6-9/h1-2,4,6-8H,3,5H2
InChIKeyYRSGONZLCYJKCF-UHFFFAOYSA-N
MW327.12 g/mol
LogP1.49
Rot. Bonds3

About 5-iodo-3-(2-pyridin-3-ylethyl)pyrimidin-4-one

5-iodo-3-(2-pyridin-3-ylethyl)pyrimidin-4-one (PubChem CID 66310563) has the molecular formula C11H10IN3O and a molecular weight of 327.12 g/mol. Its IUPAC name is 5-iodo-3-(2-pyridin-3-ylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-iodo-3-(2-pyridin-3-ylethyl)pyrimidin-4-one
PubChem CID66310563
Molecular FormulaC11H10IN3O
Molecular Weight327.12 g/mol
Exact Mass326.99
IUPAC Name5-iodo-3-(2-pyridin-3-ylethyl)pyrimidin-4-one
SMILESO=c1c(I)cncn1CCc1cccnc1
InChIInChI=1S/C11H10IN3O/c12-10-7-14-8-15(11(10)16)5-3-9-2-1-4-13-6-9/h1-2,4,6-8H,3,5H2
InChIKeyYRSGONZLCYJKCF-UHFFFAOYSA-N
XLogP1.49
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.12
LogP ≤ 51.49
H-Bond Donors ≤ 50
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-(2-pyridin-3-ylethyl)pyrimidin-4-one?
The IUPAC name of 5-iodo-3-(2-pyridin-3-ylethyl)pyrimidin-4-one (CID 66310563) is 5-iodo-3-(2-pyridin-3-ylethyl)pyrimidin-4-one.
What is the SMILES notation for 5-iodo-3-(2-pyridin-3-ylethyl)pyrimidin-4-one?
The canonical SMILES for 5-iodo-3-(2-pyridin-3-ylethyl)pyrimidin-4-one is O=c1c(I)cncn1CCc1cccnc1.
What is the InChIKey of 5-iodo-3-(2-pyridin-3-ylethyl)pyrimidin-4-one?
The InChIKey is YRSGONZLCYJKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10IN3O/c12-10-7-14-8-15(11(10)16)5-3-9-2-1-4-13-6-9/h1-2,4,6-8H,3,5H2.
What are the key properties of 5-iodo-3-(2-pyridin-3-ylethyl)pyrimidin-4-one?
5-iodo-3-(2-pyridin-3-ylethyl)pyrimidin-4-one has a molecular weight of 327.12 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-3-(2-pyridin-3-ylethyl)pyrimidin-4-one is sourced from PubChem (CID 66310563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).