5-iodo-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one

C9H13IN2O3 — CID 102927184

IUPAC5-iodo-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one
SMILESCOCCOCCc1ncc(I)c(=O)[nH]1
InChIInChI=1S/C9H13IN2O3/c1-14-4-5-15-3-2-8-11-6-7(10)9(13)12-8/h6H,2-5H2,1H3,(H,11,12,13)
InChIKeyMHIMZHAOSZLICD-UHFFFAOYSA-N
MW324.12 g/mol
LogP0.58
Rot. Bonds6

About 5-iodo-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one

5-iodo-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one (PubChem CID 102927184) has the molecular formula C9H13IN2O3 and a molecular weight of 324.12 g/mol. Its IUPAC name is 5-iodo-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one
PubChem CID102927184
Molecular FormulaC9H13IN2O3
Molecular Weight324.12 g/mol
Exact Mass324.00
IUPAC Name5-iodo-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one
SMILESCOCCOCCc1ncc(I)c(=O)[nH]1
InChIInChI=1S/C9H13IN2O3/c1-14-4-5-15-3-2-8-11-6-7(10)9(13)12-8/h6H,2-5H2,1H3,(H,11,12,13)
InChIKeyMHIMZHAOSZLICD-UHFFFAOYSA-N
XLogP0.58
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.12
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2,2-difluoroethoxy)ethyl]-5-iodo-1H-pyrimidin-6-one
CID 103146646
5-iodo-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 103146647
2-(1,4-dioxan-2-yl)-5-iodo-1H-pyrimidin-6-one
CID 66314501
5-iodo-2-(propoxymethyl)-1H-pyrimidin-6-one
CID 66314920
5-iodo-2-(2-methoxyethyl)-1H-pyrimidin-6-one
CID 66315339
5-iodo-2-(3-methoxypropyl)-1H-pyrimidin-6-one
CID 66315547
2-(1-ethoxyethyl)-5-iodo-1H-pyrimidin-6-one
CID 66316168
2-(ethoxymethyl)-5-iodo-1H-pyrimidin-6-one
CID 66316585
3-[2-(3-Ethoxypropylamino)ethyl]-5-iodo-2-methylpyrimidin-4-one
CID 66341628
2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one
CID 102927147
4-hydroxy-5-iodo-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one
CID 102927170
5-bromo-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one
CID 102927183

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one (CID 102927184) is 5-iodo-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one is COCCOCCc1ncc(I)c(=O)[nH]1.
What is the InChIKey of 5-iodo-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one?
The InChIKey is MHIMZHAOSZLICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13IN2O3/c1-14-4-5-15-3-2-8-11-6-7(10)9(13)12-8/h6H,2-5H2,1H3,(H,11,12,13).
What are the key properties of 5-iodo-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one?
5-iodo-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one has a molecular weight of 324.12 g/mol, XLogP of 0.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-[2-(2-methoxyethoxy)ethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 102927184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).