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

C8H10ClIN2O3 — CID 114583861

IUPAC6-chloro-3-[2-(2-hydroxyethoxy)ethyl]-5-iodopyrimidin-4-one
SMILESO=c1c(I)c(Cl)ncn1CCOCCO
InChIInChI=1S/C8H10ClIN2O3/c9-7-6(10)8(14)12(5-11-7)1-3-15-4-2-13/h5,13H,1-4H2
InChIKeyPUESSLZLPIQCOZ-UHFFFAOYSA-N
MW344.54 g/mol
LogP0.51
Rot. Bonds5

About 6-chloro-3-[2-(2-hydroxyethoxy)ethyl]-5-iodopyrimidin-4-one

6-chloro-3-[2-(2-hydroxyethoxy)ethyl]-5-iodopyrimidin-4-one (PubChem CID 114583861) has the molecular formula C8H10ClIN2O3 and a molecular weight of 344.54 g/mol. Its IUPAC name is 6-chloro-3-[2-(2-hydroxyethoxy)ethyl]-5-iodopyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-[2-(2-hydroxyethoxy)ethyl]-5-iodopyrimidin-4-one
PubChem CID114583861
Molecular FormulaC8H10ClIN2O3
Molecular Weight344.54 g/mol
Exact Mass343.94
IUPAC Name6-chloro-3-[2-(2-hydroxyethoxy)ethyl]-5-iodopyrimidin-4-one
SMILESO=c1c(I)c(Cl)ncn1CCOCCO
InChIInChI=1S/C8H10ClIN2O3/c9-7-6(10)8(14)12(5-11-7)1-3-15-4-2-13/h5,13H,1-4H2
InChIKeyPUESSLZLPIQCOZ-UHFFFAOYSA-N
XLogP0.51
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.54
LogP ≤ 50.51
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 6-chloro-3-[2-(2-hydroxyethoxy)ethyl]-5-iodopyrimidin-4-one?
The IUPAC name of 6-chloro-3-[2-(2-hydroxyethoxy)ethyl]-5-iodopyrimidin-4-one (CID 114583861) is 6-chloro-3-[2-(2-hydroxyethoxy)ethyl]-5-iodopyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-[2-(2-hydroxyethoxy)ethyl]-5-iodopyrimidin-4-one?
The canonical SMILES for 6-chloro-3-[2-(2-hydroxyethoxy)ethyl]-5-iodopyrimidin-4-one is O=c1c(I)c(Cl)ncn1CCOCCO.
What is the InChIKey of 6-chloro-3-[2-(2-hydroxyethoxy)ethyl]-5-iodopyrimidin-4-one?
The InChIKey is PUESSLZLPIQCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClIN2O3/c9-7-6(10)8(14)12(5-11-7)1-3-15-4-2-13/h5,13H,1-4H2.
What are the key properties of 6-chloro-3-[2-(2-hydroxyethoxy)ethyl]-5-iodopyrimidin-4-one?
6-chloro-3-[2-(2-hydroxyethoxy)ethyl]-5-iodopyrimidin-4-one has a molecular weight of 344.54 g/mol, XLogP of 0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[2-(2-hydroxyethoxy)ethyl]-5-iodopyrimidin-4-one is sourced from PubChem (CID 114583861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).