5-iodo-2-[2-(2-methoxyethoxy)ethyl]-4-(methoxymethyl)-1H-pyrimidin-6-one

C11H17IN2O4 — CID 136981216

IUPAC5-iodo-2-[2-(2-methoxyethoxy)ethyl]-4-(methoxymethyl)-1H-pyrimidin-6-one
SMILESCOCCOCCc1nc(COC)c(I)c(=O)[nH]1
InChIInChI=1S/C11H17IN2O4/c1-16-5-6-18-4-3-9-13-8(7-17-2)10(12)11(15)14-9/h3-7H2,1-2H3,(H,13,14,15)
InChIKeyGUVNVFBGJHAVLE-UHFFFAOYSA-N
MW368.17 g/mol
LogP0.73
Rot. Bonds8

About 5-iodo-2-[2-(2-methoxyethoxy)ethyl]-4-(methoxymethyl)-1H-pyrimidin-6-one

5-iodo-2-[2-(2-methoxyethoxy)ethyl]-4-(methoxymethyl)-1H-pyrimidin-6-one (PubChem CID 136981216) has the molecular formula C11H17IN2O4 and a molecular weight of 368.17 g/mol. Its IUPAC name is 5-iodo-2-[2-(2-methoxyethoxy)ethyl]-4-(methoxymethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-2-[2-(2-methoxyethoxy)ethyl]-4-(methoxymethyl)-1H-pyrimidin-6-one
PubChem CID136981216
Molecular FormulaC11H17IN2O4
Molecular Weight368.17 g/mol
Exact Mass368.02
IUPAC Name5-iodo-2-[2-(2-methoxyethoxy)ethyl]-4-(methoxymethyl)-1H-pyrimidin-6-one
SMILESCOCCOCCc1nc(COC)c(I)c(=O)[nH]1
InChIInChI=1S/C11H17IN2O4/c1-16-5-6-18-4-3-9-13-8(7-17-2)10(12)11(15)14-9/h3-7H2,1-2H3,(H,13,14,15)
InChIKeyGUVNVFBGJHAVLE-UHFFFAOYSA-N
XLogP0.73
TPSA73.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.17
LogP ≤ 50.73
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-2-[2-(2-methoxyethoxy)ethyl]-4-(methoxymethyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-2-[2-(2-methoxyethoxy)ethyl]-4-(methoxymethyl)-1H-pyrimidin-6-one (CID 136981216) is 5-iodo-2-[2-(2-methoxyethoxy)ethyl]-4-(methoxymethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-2-[2-(2-methoxyethoxy)ethyl]-4-(methoxymethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-2-[2-(2-methoxyethoxy)ethyl]-4-(methoxymethyl)-1H-pyrimidin-6-one is COCCOCCc1nc(COC)c(I)c(=O)[nH]1.
What is the InChIKey of 5-iodo-2-[2-(2-methoxyethoxy)ethyl]-4-(methoxymethyl)-1H-pyrimidin-6-one?
The InChIKey is GUVNVFBGJHAVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17IN2O4/c1-16-5-6-18-4-3-9-13-8(7-17-2)10(12)11(15)14-9/h3-7H2,1-2H3,(H,13,14,15).
What are the key properties of 5-iodo-2-[2-(2-methoxyethoxy)ethyl]-4-(methoxymethyl)-1H-pyrimidin-6-one?
5-iodo-2-[2-(2-methoxyethoxy)ethyl]-4-(methoxymethyl)-1H-pyrimidin-6-one has a molecular weight of 368.17 g/mol, XLogP of 0.73, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-[2-(2-methoxyethoxy)ethyl]-4-(methoxymethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136981216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).