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

C10H11ClIN3O2 — CID 114583758

IUPAC6-chloro-5-iodo-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one
SMILESO=C(Cn1cnc(Cl)c(I)c1=O)N1CCCC1
InChIInChI=1S/C10H11ClIN3O2/c11-9-8(12)10(17)15(6-13-9)5-7(16)14-3-1-2-4-14/h6H,1-5H2
InChIKeyNYLFFTIPGVBONN-UHFFFAOYSA-N
MW367.57 g/mol
LogP1.12
Rot. Bonds2

About 6-chloro-5-iodo-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one

6-chloro-5-iodo-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one (PubChem CID 114583758) has the molecular formula C10H11ClIN3O2 and a molecular weight of 367.57 g/mol. Its IUPAC name is 6-chloro-5-iodo-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-5-iodo-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one
PubChem CID114583758
Molecular FormulaC10H11ClIN3O2
Molecular Weight367.57 g/mol
Exact Mass366.96
IUPAC Name6-chloro-5-iodo-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one
SMILESO=C(Cn1cnc(Cl)c(I)c1=O)N1CCCC1
InChIInChI=1S/C10H11ClIN3O2/c11-9-8(12)10(17)15(6-13-9)5-7(16)14-3-1-2-4-14/h6H,1-5H2
InChIKeyNYLFFTIPGVBONN-UHFFFAOYSA-N
XLogP1.12
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.57
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-Iodo-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one
CID 66308228
5-Iodo-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one
CID 66309717
5-Iodo-6-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one
CID 66342438
2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N,N-diethylpropanamide
CID 113604425
6-Chloro-5-iodo-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one
CID 113604428
6-Chloro-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one
CID 114582035
6-Chloro-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one
CID 114582259
5-Amino-6-chloro-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one
CID 114582475
5,6-Dichloro-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one
CID 114582904
5,6-Dichloro-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one
CID 114583124
5-Bromo-6-chloro-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one
CID 114583330
2-(4-chloro-5-iodo-6-oxopyrimidin-1-yl)-N-methyl-N-propan-2-ylacetamide
CID 114583780

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-iodo-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one?
The IUPAC name of 6-chloro-5-iodo-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one (CID 114583758) is 6-chloro-5-iodo-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one.
What is the SMILES notation for 6-chloro-5-iodo-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one?
The canonical SMILES for 6-chloro-5-iodo-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one is O=C(Cn1cnc(Cl)c(I)c1=O)N1CCCC1.
What is the InChIKey of 6-chloro-5-iodo-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one?
The InChIKey is NYLFFTIPGVBONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClIN3O2/c11-9-8(12)10(17)15(6-13-9)5-7(16)14-3-1-2-4-14/h6H,1-5H2.
What are the key properties of 6-chloro-5-iodo-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one?
6-chloro-5-iodo-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one has a molecular weight of 367.57 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-iodo-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one is sourced from PubChem (CID 114583758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).