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

C11H14IN3O2 — CID 66342944

IUPAC5-iodo-2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one
SMILESCc1ncc(I)c(=O)n1CC(=O)N1CCCC1
InChIInChI=1S/C11H14IN3O2/c1-8-13-6-9(12)11(17)15(8)7-10(16)14-4-2-3-5-14/h6H,2-5,7H2,1H3
InChIKeyDIWYHBXYCPODMS-UHFFFAOYSA-N
MW347.16 g/mol
LogP0.78
Rot. Bonds2

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

5-iodo-2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one (PubChem CID 66342944) has the molecular formula C11H14IN3O2 and a molecular weight of 347.16 g/mol. Its IUPAC name is 5-iodo-2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-iodo-2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one
PubChem CID66342944
Molecular FormulaC11H14IN3O2
Molecular Weight347.16 g/mol
Exact Mass347.01
IUPAC Name5-iodo-2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one
SMILESCc1ncc(I)c(=O)n1CC(=O)N1CCCC1
InChIInChI=1S/C11H14IN3O2/c1-8-13-6-9(12)11(17)15(8)7-10(16)14-4-2-3-5-14/h6H,2-5,7H2,1H3
InChIKeyDIWYHBXYCPODMS-UHFFFAOYSA-N
XLogP0.78
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.16
LogP ≤ 50.78
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
2-(5-iodo-6-oxopyrimidin-1-yl)-N,N-dimethylacetamide
CID 66308423
N,N-diethyl-2-(5-iodo-6-oxopyrimidin-1-yl)acetamide
CID 66309289
N-ethyl-2-(5-iodo-6-oxopyrimidin-1-yl)-N-methylacetamide
CID 66309493
5-Iodo-3-(2-pyrrolidin-1-ylethyl)pyrimidin-4-one
CID 66309717
5-Bromo-2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one
CID 66309876
2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-propylacetamide
CID 66339811
5-Iodo-2-methyl-3-(2-oxobutyl)pyrimidin-4-one
CID 66339841
N,N-diethyl-2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)acetamide
CID 66340049
5-Iodo-2-methyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one
CID 66340483
2-(5-iodo-2-methyl-6-oxopyrimidin-1-yl)-N-methylacetamide
CID 66340693
5-Iodo-2-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrimidin-4-one
CID 66340696

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one?
The IUPAC name of 5-iodo-2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one (CID 66342944) is 5-iodo-2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one.
What is the SMILES notation for 5-iodo-2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one?
The canonical SMILES for 5-iodo-2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one is Cc1ncc(I)c(=O)n1CC(=O)N1CCCC1.
What is the InChIKey of 5-iodo-2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one?
The InChIKey is DIWYHBXYCPODMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14IN3O2/c1-8-13-6-9(12)11(17)15(8)7-10(16)14-4-2-3-5-14/h6H,2-5,7H2,1H3.
What are the key properties of 5-iodo-2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one?
5-iodo-2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one has a molecular weight of 347.16 g/mol, XLogP of 0.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidin-4-one is sourced from PubChem (CID 66342944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).