3-[2-(2-hydroxyethoxy)ethyl]pyrimidin-4-one

C8H12N2O3 — CID 63769903

IUPAC3-[2-(2-hydroxyethoxy)ethyl]pyrimidin-4-one
SMILESO=c1ccncn1CCOCCO
InChIInChI=1S/C8H12N2O3/c11-4-6-13-5-3-10-7-9-2-1-8(10)12/h1-2,7,11H,3-6H2
InChIKeyKYGVSPIJRRYYQL-UHFFFAOYSA-N
MW184.20 g/mol
LogP-0.75
Rot. Bonds5

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

3-[2-(2-hydroxyethoxy)ethyl]pyrimidin-4-one (PubChem CID 63769903) has the molecular formula C8H12N2O3 and a molecular weight of 184.20 g/mol. Its IUPAC name is 3-[2-(2-hydroxyethoxy)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(2-hydroxyethoxy)ethyl]pyrimidin-4-one
PubChem CID63769903
Molecular FormulaC8H12N2O3
Molecular Weight184.20 g/mol
Exact Mass184.08
IUPAC Name3-[2-(2-hydroxyethoxy)ethyl]pyrimidin-4-one
SMILESO=c1ccncn1CCOCCO
InChIInChI=1S/C8H12N2O3/c11-4-6-13-5-3-10-7-9-2-1-8(10)12/h1-2,7,11H,3-6H2
InChIKeyKYGVSPIJRRYYQL-UHFFFAOYSA-N
XLogP-0.75
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-hydroxyethoxy)ethyl]pyrimidin-4-one?
The IUPAC name of 3-[2-(2-hydroxyethoxy)ethyl]pyrimidin-4-one (CID 63769903) is 3-[2-(2-hydroxyethoxy)ethyl]pyrimidin-4-one.
What is the SMILES notation for 3-[2-(2-hydroxyethoxy)ethyl]pyrimidin-4-one?
The canonical SMILES for 3-[2-(2-hydroxyethoxy)ethyl]pyrimidin-4-one is O=c1ccncn1CCOCCO.
What is the InChIKey of 3-[2-(2-hydroxyethoxy)ethyl]pyrimidin-4-one?
The InChIKey is KYGVSPIJRRYYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c11-4-6-13-5-3-10-7-9-2-1-8(10)12/h1-2,7,11H,3-6H2.
What are the key properties of 3-[2-(2-hydroxyethoxy)ethyl]pyrimidin-4-one?
3-[2-(2-hydroxyethoxy)ethyl]pyrimidin-4-one has a molecular weight of 184.20 g/mol, XLogP of -0.75, 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]pyrimidin-4-one is sourced from PubChem (CID 63769903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).