5-iodo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrimidine-2,4-dione

C11H17IN2O5 — CID 113427652

IUPAC5-iodo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrimidine-2,4-dione
SMILESCOCCOCCOCCn1cc(I)c(=O)[nH]c1=O
InChIInChI=1S/C11H17IN2O5/c1-17-4-5-19-7-6-18-3-2-14-8-9(12)10(15)13-11(14)16/h8H,2-7H2,1H3,(H,13,15,16)
InChIKeyOOWNKQBWFBQACV-UHFFFAOYSA-N
MW384.17 g/mol
LogP-0.18
Rot. Bonds9

About 5-iodo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrimidine-2,4-dione

5-iodo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrimidine-2,4-dione (PubChem CID 113427652) has the molecular formula C11H17IN2O5 and a molecular weight of 384.17 g/mol. Its IUPAC name is 5-iodo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-iodo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrimidine-2,4-dione
PubChem CID113427652
Molecular FormulaC11H17IN2O5
Molecular Weight384.17 g/mol
Exact Mass384.02
IUPAC Name5-iodo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrimidine-2,4-dione
SMILESCOCCOCCOCCn1cc(I)c(=O)[nH]c1=O
InChIInChI=1S/C11H17IN2O5/c1-17-4-5-19-7-6-18-3-2-14-8-9(12)10(15)13-11(14)16/h8H,2-7H2,1H3,(H,13,15,16)
InChIKeyOOWNKQBWFBQACV-UHFFFAOYSA-N
XLogP-0.18
TPSA82.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.17
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

5-iodo-1-pentylpyrimidine-2,4-dione
CID 79784699
5-bromo-1-(2-methoxyethyl)pyrimidine-2,4-dione
CID 63778343
5-iodo-1-(2-methoxy-2-methylpropyl)pyrimidine-2,4-dione
CID 131007523
5-iodo-1-[2-(2-methoxyethoxy)ethyl]-3-methylpyridin-2-one
CID 75456585
5-iodo-1-(4,4,4-trifluorobutyl)pyrimidine-2,4-dione
CID 115519719
5-amino-1-(2-methoxyethoxymethyl)pyrimidine-2,4-dione
CID 165473870
1-(2-ethoxyethyl)-5-ethylpyrimidine-2,4-dione
CID 66330926
1-(3,4-dihydroxybutyl)-5-iodopyrimidine-2,4-dione
CID 58979936
1-ethyl-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]imidazol-2-one
CID 116624225
1-[2-(2-methoxyethoxy)ethyl]-3-methylimidazol-2-one
CID 116624618
5-amino-1-(2-ethoxyethyl)pyrimidine-2,4-dione
CID 63801121
3-iodo-1-[2-(3-methoxypropoxy)ethyl]pyridin-2-one
CID 103185183

Frequently Asked Questions

What is the IUPAC name of 5-iodo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrimidine-2,4-dione?
The IUPAC name of 5-iodo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrimidine-2,4-dione (CID 113427652) is 5-iodo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-iodo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-iodo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrimidine-2,4-dione is COCCOCCOCCn1cc(I)c(=O)[nH]c1=O.
What is the InChIKey of 5-iodo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrimidine-2,4-dione?
The InChIKey is OOWNKQBWFBQACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17IN2O5/c1-17-4-5-19-7-6-18-3-2-14-8-9(12)10(15)13-11(14)16/h8H,2-7H2,1H3,(H,13,15,16).
What are the key properties of 5-iodo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrimidine-2,4-dione?
5-iodo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrimidine-2,4-dione has a molecular weight of 384.17 g/mol, XLogP of -0.18, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 113427652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).