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

C10H12IN3O2 — CID 66308228

IUPAC5-iodo-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one
SMILESO=C(Cn1cncc(I)c1=O)N1CCCC1
InChIInChI=1S/C10H12IN3O2/c11-8-5-12-7-14(10(8)16)6-9(15)13-3-1-2-4-13/h5,7H,1-4,6H2
InChIKeyUXGOTCDSFHOERC-UHFFFAOYSA-N
MW333.13 g/mol
LogP0.47
Rot. Bonds2

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

5-iodo-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one (PubChem CID 66308228) has the molecular formula C10H12IN3O2 and a molecular weight of 333.13 g/mol. Its IUPAC name is 5-iodo-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-iodo-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one
PubChem CID66308228
Molecular FormulaC10H12IN3O2
Molecular Weight333.13 g/mol
Exact Mass333.00
IUPAC Name5-iodo-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one
SMILESO=C(Cn1cncc(I)c1=O)N1CCCC1
InChIInChI=1S/C10H12IN3O2/c11-8-5-12-7-14(10(8)16)6-9(15)13-3-1-2-4-13/h5,7H,1-4,6H2
InChIKeyUXGOTCDSFHOERC-UHFFFAOYSA-N
XLogP0.47
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.13
LogP ≤ 50.47
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-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one?
The IUPAC name of 5-iodo-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one (CID 66308228) is 5-iodo-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one.
What is the SMILES notation for 5-iodo-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one?
The canonical SMILES for 5-iodo-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one is O=C(Cn1cncc(I)c1=O)N1CCCC1.
What is the InChIKey of 5-iodo-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one?
The InChIKey is UXGOTCDSFHOERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12IN3O2/c11-8-5-12-7-14(10(8)16)6-9(15)13-3-1-2-4-13/h5,7H,1-4,6H2.
What are the key properties of 5-iodo-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one?
5-iodo-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one has a molecular weight of 333.13 g/mol, XLogP of 0.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one is sourced from PubChem (CID 66308228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).