4-[2-(oxan-2-yloxy)ethoxymethyl]-1H-pyrimidin-6-one

C12H18N2O4 — CID 178051551

IUPAC4-[2-(oxan-2-yloxy)ethoxymethyl]-1H-pyrimidin-6-one
SMILESO=c1cc(COCCOC2CCCCO2)nc[nH]1
InChIInChI=1S/C12H18N2O4/c15-11-7-10(13-9-14-11)8-16-5-6-18-12-3-1-2-4-17-12/h7,9,12H,1-6,8H2,(H,13,14,15)
InChIKeyXANOZZPSMZPGDZ-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.83
Rot. Bonds6

About 4-[2-(oxan-2-yloxy)ethoxymethyl]-1H-pyrimidin-6-one

4-[2-(oxan-2-yloxy)ethoxymethyl]-1H-pyrimidin-6-one (PubChem CID 178051551) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 4-[2-(oxan-2-yloxy)ethoxymethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(oxan-2-yloxy)ethoxymethyl]-1H-pyrimidin-6-one
PubChem CID178051551
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name4-[2-(oxan-2-yloxy)ethoxymethyl]-1H-pyrimidin-6-one
SMILESO=c1cc(COCCOC2CCCCO2)nc[nH]1
InChIInChI=1S/C12H18N2O4/c15-11-7-10(13-9-14-11)8-16-5-6-18-12-3-1-2-4-17-12/h7,9,12H,1-6,8H2,(H,13,14,15)
InChIKeyXANOZZPSMZPGDZ-UHFFFAOYSA-N
XLogP0.83
TPSA73.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.83
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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Related Compounds

2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]oxane
CID 165126969
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxane
CID 162640826
2-[2-[2-(oxolan-2-yloxy)ethoxy]ethoxy]oxolane
CID 70907878
2-[2-[2-[3-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]-2,2-bis[2-[2-(oxan-2-yloxy)ethoxy]ethoxymethyl]propoxy]ethoxy]ethoxy]oxane
CID 11181986
2-[2-(2-phenoxyethoxy)ethoxy]oxane
CID 68537956
2-[2-[2-[2-(furan-2-ylmethoxy)ethoxy]ethoxy]ethoxy]oxane
CID 122547467
1-[3-[2-[2-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]phenyl]ethanone
CID 122582585
1-(oxan-2-yl)-3-[2-[2-(oxan-2-yloxy)ethoxy]ethyl]pyrazole
CID 156694753
2-[2-(cyclopropylmethoxy)ethoxy]oxane
CID 66652846
2-[2-[2-[2-[2-[(2S)-oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 124522873
2-[2-[2-[2-[2-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 119058274
2-[2-[2-[2-[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxane
CID 10646224

Frequently Asked Questions

What is the IUPAC name of 4-[2-(oxan-2-yloxy)ethoxymethyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(oxan-2-yloxy)ethoxymethyl]-1H-pyrimidin-6-one (CID 178051551) is 4-[2-(oxan-2-yloxy)ethoxymethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(oxan-2-yloxy)ethoxymethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(oxan-2-yloxy)ethoxymethyl]-1H-pyrimidin-6-one is O=c1cc(COCCOC2CCCCO2)nc[nH]1.
What is the InChIKey of 4-[2-(oxan-2-yloxy)ethoxymethyl]-1H-pyrimidin-6-one?
The InChIKey is XANOZZPSMZPGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c15-11-7-10(13-9-14-11)8-16-5-6-18-12-3-1-2-4-17-12/h7,9,12H,1-6,8H2,(H,13,14,15).
What are the key properties of 4-[2-(oxan-2-yloxy)ethoxymethyl]-1H-pyrimidin-6-one?
4-[2-(oxan-2-yloxy)ethoxymethyl]-1H-pyrimidin-6-one has a molecular weight of 254.29 g/mol, XLogP of 0.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(oxan-2-yloxy)ethoxymethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 178051551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).