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

C7H10N2O2 — CID 137025545

IUPAC4-(ethoxymethyl)-1H-pyrimidin-6-one
SMILESCCOCc1cc(=O)[nH]cn1
InChIInChI=1S/C7H10N2O2/c1-2-11-4-6-3-7(10)9-5-8-6/h3,5H,2,4H2,1H3,(H,8,9,10)
InChIKeyQCRGSADTUASVSZ-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.31
Rot. Bonds3

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

4-(ethoxymethyl)-1H-pyrimidin-6-one (PubChem CID 137025545) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 4-(ethoxymethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(ethoxymethyl)-1H-pyrimidin-6-one
PubChem CID137025545
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name4-(ethoxymethyl)-1H-pyrimidin-6-one
SMILESCCOCc1cc(=O)[nH]cn1
InChIInChI=1S/C7H10N2O2/c1-2-11-4-6-3-7(10)9-5-8-6/h3,5H,2,4H2,1H3,(H,8,9,10)
InChIKeyQCRGSADTUASVSZ-UHFFFAOYSA-N
XLogP0.31
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(ethoxymethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-(ethoxymethyl)-1H-pyrimidin-6-one (CID 137025545) is 4-(ethoxymethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(ethoxymethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(ethoxymethyl)-1H-pyrimidin-6-one is CCOCc1cc(=O)[nH]cn1.
What is the InChIKey of 4-(ethoxymethyl)-1H-pyrimidin-6-one?
The InChIKey is QCRGSADTUASVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-2-11-4-6-3-7(10)9-5-8-6/h3,5H,2,4H2,1H3,(H,8,9,10).
What are the key properties of 4-(ethoxymethyl)-1H-pyrimidin-6-one?
4-(ethoxymethyl)-1H-pyrimidin-6-one has a molecular weight of 154.17 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethoxymethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 137025545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).