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

C10H14IN3O — CID 66309717

IUPAC5-iodo-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one
SMILESO=c1c(I)cncn1CCN1CCCC1
InChIInChI=1S/C10H14IN3O/c11-9-7-12-8-14(10(9)15)6-5-13-3-1-2-4-13/h7-8H,1-6H2
InChIKeyFYALJQOIXUUQOH-UHFFFAOYSA-N
MW319.15 g/mol
LogP0.94
Rot. Bonds3

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

5-iodo-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one (PubChem CID 66309717) has the molecular formula C10H14IN3O and a molecular weight of 319.15 g/mol. Its IUPAC name is 5-iodo-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-iodo-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one
PubChem CID66309717
Molecular FormulaC10H14IN3O
Molecular Weight319.15 g/mol
Exact Mass319.02
IUPAC Name5-iodo-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one
SMILESO=c1c(I)cncn1CCN1CCCC1
InChIInChI=1S/C10H14IN3O/c11-9-7-12-8-14(10(9)15)6-5-13-3-1-2-4-13/h7-8H,1-6H2
InChIKeyFYALJQOIXUUQOH-UHFFFAOYSA-N
XLogP0.94
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.15
LogP ≤ 50.94
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-pyrrolidin-1-ylethyl)pyrimidin-4-one?
The IUPAC name of 5-iodo-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one (CID 66309717) is 5-iodo-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one.
What is the SMILES notation for 5-iodo-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one?
The canonical SMILES for 5-iodo-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one is O=c1c(I)cncn1CCN1CCCC1.
What is the InChIKey of 5-iodo-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one?
The InChIKey is FYALJQOIXUUQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN3O/c11-9-7-12-8-14(10(9)15)6-5-13-3-1-2-4-13/h7-8H,1-6H2.
What are the key properties of 5-iodo-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one?
5-iodo-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one has a molecular weight of 319.15 g/mol, XLogP of 0.94, 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-pyrrolidin-1-ylethyl)pyrimidin-4-one is sourced from PubChem (CID 66309717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).