4-[2-(2-methoxyethoxy)ethoxy]-1H-pyrimidin-6-one

C9H14N2O4 — CID 103241981

IUPAC4-[2-(2-methoxyethoxy)ethoxy]-1H-pyrimidin-6-one
SMILESCOCCOCCOc1cc(=O)[nH]cn1
InChIInChI=1S/C9H14N2O4/c1-13-2-3-14-4-5-15-9-6-8(12)10-7-11-9/h6-7H,2-5H2,1H3,(H,10,11,12)
InChIKeyRIASPSOWDZMKQC-UHFFFAOYSA-N
MW214.22 g/mol
LogP-0.19
Rot. Bonds7

About 4-[2-(2-methoxyethoxy)ethoxy]-1H-pyrimidin-6-one

4-[2-(2-methoxyethoxy)ethoxy]-1H-pyrimidin-6-one (PubChem CID 103241981) has the molecular formula C9H14N2O4 and a molecular weight of 214.22 g/mol. Its IUPAC name is 4-[2-(2-methoxyethoxy)ethoxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(2-methoxyethoxy)ethoxy]-1H-pyrimidin-6-one
PubChem CID103241981
Molecular FormulaC9H14N2O4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC Name4-[2-(2-methoxyethoxy)ethoxy]-1H-pyrimidin-6-one
SMILESCOCCOCCOc1cc(=O)[nH]cn1
InChIInChI=1S/C9H14N2O4/c1-13-2-3-14-4-5-15-9-6-8(12)10-7-11-9/h6-7H,2-5H2,1H3,(H,10,11,12)
InChIKeyRIASPSOWDZMKQC-UHFFFAOYSA-N
XLogP-0.19
TPSA73.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[2-(2-methoxyethoxy)ethoxy]-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methoxyethoxy)ethoxy]-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(2-methoxyethoxy)ethoxy]-1H-pyrimidin-6-one (CID 103241981) is 4-[2-(2-methoxyethoxy)ethoxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(2-methoxyethoxy)ethoxy]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(2-methoxyethoxy)ethoxy]-1H-pyrimidin-6-one is COCCOCCOc1cc(=O)[nH]cn1.
What is the InChIKey of 4-[2-(2-methoxyethoxy)ethoxy]-1H-pyrimidin-6-one?
The InChIKey is RIASPSOWDZMKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4/c1-13-2-3-14-4-5-15-9-6-8(12)10-7-11-9/h6-7H,2-5H2,1H3,(H,10,11,12).
What are the key properties of 4-[2-(2-methoxyethoxy)ethoxy]-1H-pyrimidin-6-one?
4-[2-(2-methoxyethoxy)ethoxy]-1H-pyrimidin-6-one has a molecular weight of 214.22 g/mol, XLogP of -0.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methoxyethoxy)ethoxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 103241981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).