2-(1-methoxyethyl)-1H-pyrimidin-6-one

C7H10N2O2 — CID 20689207

IUPAC2-(1-methoxyethyl)-1H-pyrimidin-6-one
SMILESCOC(C)c1nccc(=O)[nH]1
InChIInChI=1S/C7H10N2O2/c1-5(11-2)7-8-4-3-6(10)9-7/h3-5H,1-2H3,(H,8,9,10)
InChIKeyBDESDKTYVGABEB-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.48
Rot. Bonds2

About 2-(1-methoxyethyl)-1H-pyrimidin-6-one

2-(1-methoxyethyl)-1H-pyrimidin-6-one (PubChem CID 20689207) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 2-(1-methoxyethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-methoxyethyl)-1H-pyrimidin-6-one
PubChem CID20689207
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name2-(1-methoxyethyl)-1H-pyrimidin-6-one
SMILESCOC(C)c1nccc(=O)[nH]1
InChIInChI=1S/C7H10N2O2/c1-5(11-2)7-8-4-3-6(10)9-7/h3-5H,1-2H3,(H,8,9,10)
InChIKeyBDESDKTYVGABEB-UHFFFAOYSA-N
XLogP0.48
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxyethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-methoxyethyl)-1H-pyrimidin-6-one (CID 20689207) is 2-(1-methoxyethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-methoxyethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-methoxyethyl)-1H-pyrimidin-6-one is COC(C)c1nccc(=O)[nH]1.
What is the InChIKey of 2-(1-methoxyethyl)-1H-pyrimidin-6-one?
The InChIKey is BDESDKTYVGABEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-5(11-2)7-8-4-3-6(10)9-7/h3-5H,1-2H3,(H,8,9,10).
What are the key properties of 2-(1-methoxyethyl)-1H-pyrimidin-6-one?
2-(1-methoxyethyl)-1H-pyrimidin-6-one has a molecular weight of 154.17 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxyethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 20689207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).