2-(4-ethoxyoxan-4-yl)-1H-pyrimidin-6-one

C11H16N2O3 — CID 116744926

IUPAC2-(4-ethoxyoxan-4-yl)-1H-pyrimidin-6-one
SMILESCCOC1(c2nccc(=O)[nH]2)CCOCC1
InChIInChI=1S/C11H16N2O3/c1-2-16-11(4-7-15-8-5-11)10-12-6-3-9(14)13-10/h3,6H,2,4-5,7-8H2,1H3,(H,12,13,14)
InChIKeyRBERBQFYDKYFDC-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.81
Rot. Bonds3

About 2-(4-ethoxyoxan-4-yl)-1H-pyrimidin-6-one

2-(4-ethoxyoxan-4-yl)-1H-pyrimidin-6-one (PubChem CID 116744926) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-(4-ethoxyoxan-4-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-ethoxyoxan-4-yl)-1H-pyrimidin-6-one
PubChem CID116744926
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2-(4-ethoxyoxan-4-yl)-1H-pyrimidin-6-one
SMILESCCOC1(c2nccc(=O)[nH]2)CCOCC1
InChIInChI=1S/C11H16N2O3/c1-2-16-11(4-7-15-8-5-11)10-12-6-3-9(14)13-10/h3,6H,2,4-5,7-8H2,1H3,(H,12,13,14)
InChIKeyRBERBQFYDKYFDC-UHFFFAOYSA-N
XLogP0.81
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Oxan-4-yl)-3,4-dihydropyrimidin-4-one
CID 62385930
2-(3-methyloxan-4-yl)-1H-pyrimidin-6-one
CID 164926662
2-(2-methyloxolan-2-yl)-1H-pyrimidin-6-one
CID 80167116
2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 80690677
2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
CID 104609905
2-(4-ethoxyoxan-4-yl)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 113563471
5-(aminomethyl)-2-(4-methoxyoxan-4-yl)-1H-pyrimidin-6-one
CID 113563476
2-(4-methoxyoxan-4-yl)-5-(methylaminomethyl)-1H-pyrimidin-6-one
CID 114206190
5-amino-2-(4-ethoxyoxan-4-yl)-1H-pyrimidin-6-one
CID 114207008
2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one
CID 116705562
2-(2-ethoxypropan-2-yl)-1H-pyrimidin-6-one
CID 116705564
2-(1-ethoxy-2-methylpropyl)-1H-pyrimidin-6-one
CID 116705565

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyoxan-4-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-ethoxyoxan-4-yl)-1H-pyrimidin-6-one (CID 116744926) is 2-(4-ethoxyoxan-4-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-ethoxyoxan-4-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-ethoxyoxan-4-yl)-1H-pyrimidin-6-one is CCOC1(c2nccc(=O)[nH]2)CCOCC1.
What is the InChIKey of 2-(4-ethoxyoxan-4-yl)-1H-pyrimidin-6-one?
The InChIKey is RBERBQFYDKYFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-2-16-11(4-7-15-8-5-11)10-12-6-3-9(14)13-10/h3,6H,2,4-5,7-8H2,1H3,(H,12,13,14).
What are the key properties of 2-(4-ethoxyoxan-4-yl)-1H-pyrimidin-6-one?
2-(4-ethoxyoxan-4-yl)-1H-pyrimidin-6-one has a molecular weight of 224.26 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyoxan-4-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 116744926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).