4-(ethoxymethyl)-2-(methoxymethyl)-1H-pyrimidin-6-one

C9H14N2O3 — CID 135800643

IUPAC4-(ethoxymethyl)-2-(methoxymethyl)-1H-pyrimidin-6-one
SMILESCCOCc1cc(=O)[nH]c(COC)n1
InChIInChI=1S/C9H14N2O3/c1-3-14-5-7-4-9(12)11-8(10-7)6-13-2/h4H,3,5-6H2,1-2H3,(H,10,11,12)
InChIKeyLASDNUIYYYSLHE-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.45
Rot. Bonds5

About 4-(ethoxymethyl)-2-(methoxymethyl)-1H-pyrimidin-6-one

4-(ethoxymethyl)-2-(methoxymethyl)-1H-pyrimidin-6-one (PubChem CID 135800643) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 4-(ethoxymethyl)-2-(methoxymethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(ethoxymethyl)-2-(methoxymethyl)-1H-pyrimidin-6-one
PubChem CID135800643
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name4-(ethoxymethyl)-2-(methoxymethyl)-1H-pyrimidin-6-one
SMILESCCOCc1cc(=O)[nH]c(COC)n1
InChIInChI=1S/C9H14N2O3/c1-3-14-5-7-4-9(12)11-8(10-7)6-13-2/h4H,3,5-6H2,1-2H3,(H,10,11,12)
InChIKeyLASDNUIYYYSLHE-UHFFFAOYSA-N
XLogP0.45
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(ethoxymethyl)-2-(methoxymethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(ethoxymethyl)-2-(methoxymethyl)-1H-pyrimidin-6-one (CID 135800643) is 4-(ethoxymethyl)-2-(methoxymethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(ethoxymethyl)-2-(methoxymethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(ethoxymethyl)-2-(methoxymethyl)-1H-pyrimidin-6-one is CCOCc1cc(=O)[nH]c(COC)n1.
What is the InChIKey of 4-(ethoxymethyl)-2-(methoxymethyl)-1H-pyrimidin-6-one?
The InChIKey is LASDNUIYYYSLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-3-14-5-7-4-9(12)11-8(10-7)6-13-2/h4H,3,5-6H2,1-2H3,(H,10,11,12).
What are the key properties of 4-(ethoxymethyl)-2-(methoxymethyl)-1H-pyrimidin-6-one?
4-(ethoxymethyl)-2-(methoxymethyl)-1H-pyrimidin-6-one has a molecular weight of 198.22 g/mol, XLogP of 0.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethoxymethyl)-2-(methoxymethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135800643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).