5-iodo-3-[2-(2-methoxyethylamino)ethyl]-2-methylpyrimidin-4-one

C10H16IN3O2 — CID 66342066

IUPAC5-iodo-3-[2-(2-methoxyethylamino)ethyl]-2-methylpyrimidin-4-one
SMILESCOCCNCCn1c(C)ncc(I)c1=O
InChIInChI=1S/C10H16IN3O2/c1-8-13-7-9(11)10(15)14(8)5-3-12-4-6-16-2/h7,12H,3-6H2,1-2H3
InChIKeyZLIYKMXASYKJEC-UHFFFAOYSA-N
MW337.16 g/mol
LogP0.39
Rot. Bonds6

About 5-iodo-3-[2-(2-methoxyethylamino)ethyl]-2-methylpyrimidin-4-one

5-iodo-3-[2-(2-methoxyethylamino)ethyl]-2-methylpyrimidin-4-one (PubChem CID 66342066) has the molecular formula C10H16IN3O2 and a molecular weight of 337.16 g/mol. Its IUPAC name is 5-iodo-3-[2-(2-methoxyethylamino)ethyl]-2-methylpyrimidin-4-one.

Molecular Properties

Compound Name5-iodo-3-[2-(2-methoxyethylamino)ethyl]-2-methylpyrimidin-4-one
PubChem CID66342066
Molecular FormulaC10H16IN3O2
Molecular Weight337.16 g/mol
Exact Mass337.03
IUPAC Name5-iodo-3-[2-(2-methoxyethylamino)ethyl]-2-methylpyrimidin-4-one
SMILESCOCCNCCn1c(C)ncc(I)c1=O
InChIInChI=1S/C10H16IN3O2/c1-8-13-7-9(11)10(15)14(8)5-3-12-4-6-16-2/h7,12H,3-6H2,1-2H3
InChIKeyZLIYKMXASYKJEC-UHFFFAOYSA-N
XLogP0.39
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.16
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-3-[2-(2-methoxyethylamino)ethyl]-2-methylpyrimidin-4-one?
The IUPAC name of 5-iodo-3-[2-(2-methoxyethylamino)ethyl]-2-methylpyrimidin-4-one (CID 66342066) is 5-iodo-3-[2-(2-methoxyethylamino)ethyl]-2-methylpyrimidin-4-one.
What is the SMILES notation for 5-iodo-3-[2-(2-methoxyethylamino)ethyl]-2-methylpyrimidin-4-one?
The canonical SMILES for 5-iodo-3-[2-(2-methoxyethylamino)ethyl]-2-methylpyrimidin-4-one is COCCNCCn1c(C)ncc(I)c1=O.
What is the InChIKey of 5-iodo-3-[2-(2-methoxyethylamino)ethyl]-2-methylpyrimidin-4-one?
The InChIKey is ZLIYKMXASYKJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16IN3O2/c1-8-13-7-9(11)10(15)14(8)5-3-12-4-6-16-2/h7,12H,3-6H2,1-2H3.
What are the key properties of 5-iodo-3-[2-(2-methoxyethylamino)ethyl]-2-methylpyrimidin-4-one?
5-iodo-3-[2-(2-methoxyethylamino)ethyl]-2-methylpyrimidin-4-one has a molecular weight of 337.16 g/mol, XLogP of 0.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-3-[2-(2-methoxyethylamino)ethyl]-2-methylpyrimidin-4-one is sourced from PubChem (CID 66342066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).