3-[2-(2-hydroxyethoxy)ethyl]-5-iodopyrimidin-4-one

C8H11IN2O3 — CID 66308838

IUPAC3-[2-(2-hydroxyethoxy)ethyl]-5-iodopyrimidin-4-one
SMILESO=c1c(I)cncn1CCOCCO
InChIInChI=1S/C8H11IN2O3/c9-7-5-10-6-11(8(7)13)1-3-14-4-2-12/h5-6,12H,1-4H2
InChIKeyJLNQZMHCJVKIRQ-UHFFFAOYSA-N
MW310.09 g/mol
LogP-0.14
Rot. Bonds5

About 3-[2-(2-hydroxyethoxy)ethyl]-5-iodopyrimidin-4-one

3-[2-(2-hydroxyethoxy)ethyl]-5-iodopyrimidin-4-one (PubChem CID 66308838) has the molecular formula C8H11IN2O3 and a molecular weight of 310.09 g/mol. Its IUPAC name is 3-[2-(2-hydroxyethoxy)ethyl]-5-iodopyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(2-hydroxyethoxy)ethyl]-5-iodopyrimidin-4-one
PubChem CID66308838
Molecular FormulaC8H11IN2O3
Molecular Weight310.09 g/mol
Exact Mass309.98
IUPAC Name3-[2-(2-hydroxyethoxy)ethyl]-5-iodopyrimidin-4-one
SMILESO=c1c(I)cncn1CCOCCO
InChIInChI=1S/C8H11IN2O3/c9-7-5-10-6-11(8(7)13)1-3-14-4-2-12/h5-6,12H,1-4H2
InChIKeyJLNQZMHCJVKIRQ-UHFFFAOYSA-N
XLogP-0.14
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.09
LogP ≤ 5-0.14
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 3-[2-(2-hydroxyethoxy)ethyl]-5-iodopyrimidin-4-one?
The IUPAC name of 3-[2-(2-hydroxyethoxy)ethyl]-5-iodopyrimidin-4-one (CID 66308838) is 3-[2-(2-hydroxyethoxy)ethyl]-5-iodopyrimidin-4-one.
What is the SMILES notation for 3-[2-(2-hydroxyethoxy)ethyl]-5-iodopyrimidin-4-one?
The canonical SMILES for 3-[2-(2-hydroxyethoxy)ethyl]-5-iodopyrimidin-4-one is O=c1c(I)cncn1CCOCCO.
What is the InChIKey of 3-[2-(2-hydroxyethoxy)ethyl]-5-iodopyrimidin-4-one?
The InChIKey is JLNQZMHCJVKIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11IN2O3/c9-7-5-10-6-11(8(7)13)1-3-14-4-2-12/h5-6,12H,1-4H2.
What are the key properties of 3-[2-(2-hydroxyethoxy)ethyl]-5-iodopyrimidin-4-one?
3-[2-(2-hydroxyethoxy)ethyl]-5-iodopyrimidin-4-one has a molecular weight of 310.09 g/mol, XLogP of -0.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-hydroxyethoxy)ethyl]-5-iodopyrimidin-4-one is sourced from PubChem (CID 66308838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).