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

C10H14N2O3 — CID 116744922

IUPAC2-(4-methoxyoxan-4-yl)-1H-pyrimidin-6-one
SMILESCOC1(c2nccc(=O)[nH]2)CCOCC1
InChIInChI=1S/C10H14N2O3/c1-14-10(3-6-15-7-4-10)9-11-5-2-8(13)12-9/h2,5H,3-4,6-7H2,1H3,(H,11,12,13)
InChIKeyWXCNGICVQMRLLO-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.42
Rot. Bonds2

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

2-(4-methoxyoxan-4-yl)-1H-pyrimidin-6-one (PubChem CID 116744922) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-(4-methoxyoxan-4-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-methoxyoxan-4-yl)-1H-pyrimidin-6-one
PubChem CID116744922
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-(4-methoxyoxan-4-yl)-1H-pyrimidin-6-one
SMILESCOC1(c2nccc(=O)[nH]2)CCOCC1
InChIInChI=1S/C10H14N2O3/c1-14-10(3-6-15-7-4-10)9-11-5-2-8(13)12-9/h2,5H,3-4,6-7H2,1H3,(H,11,12,13)
InChIKeyWXCNGICVQMRLLO-UHFFFAOYSA-N
XLogP0.42
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.42
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-methoxycyclohexyl)-1H-pyrimidin-6-one
CID 116744916

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyoxan-4-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-methoxyoxan-4-yl)-1H-pyrimidin-6-one (CID 116744922) is 2-(4-methoxyoxan-4-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-methoxyoxan-4-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-methoxyoxan-4-yl)-1H-pyrimidin-6-one is COC1(c2nccc(=O)[nH]2)CCOCC1.
What is the InChIKey of 2-(4-methoxyoxan-4-yl)-1H-pyrimidin-6-one?
The InChIKey is WXCNGICVQMRLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-14-10(3-6-15-7-4-10)9-11-5-2-8(13)12-9/h2,5H,3-4,6-7H2,1H3,(H,11,12,13).
What are the key properties of 2-(4-methoxyoxan-4-yl)-1H-pyrimidin-6-one?
2-(4-methoxyoxan-4-yl)-1H-pyrimidin-6-one has a molecular weight of 210.23 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyoxan-4-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 116744922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).