5-ethyl-2-(methoxymethyl)-1H-pyrimidin-6-one

C8H12N2O2 — CID 69107840

IUPAC5-ethyl-2-(methoxymethyl)-1H-pyrimidin-6-one
SMILESCCc1cnc(COC)[nH]c1=O
InChIInChI=1S/C8H12N2O2/c1-3-6-4-9-7(5-12-2)10-8(6)11/h4H,3,5H2,1-2H3,(H,9,10,11)
InChIKeyHAPPZQXNJGLOSB-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.48
Rot. Bonds3

About 5-ethyl-2-(methoxymethyl)-1H-pyrimidin-6-one

5-ethyl-2-(methoxymethyl)-1H-pyrimidin-6-one (PubChem CID 69107840) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 5-ethyl-2-(methoxymethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethyl-2-(methoxymethyl)-1H-pyrimidin-6-one
PubChem CID69107840
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name5-ethyl-2-(methoxymethyl)-1H-pyrimidin-6-one
SMILESCCc1cnc(COC)[nH]c1=O
InChIInChI=1S/C8H12N2O2/c1-3-6-4-9-7(5-12-2)10-8(6)11/h4H,3,5H2,1-2H3,(H,9,10,11)
InChIKeyHAPPZQXNJGLOSB-UHFFFAOYSA-N
XLogP0.48
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-ethyl-2-(methoxymethyl)-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(methoxymethyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-ethyl-2-(methoxymethyl)-1H-pyrimidin-6-one (CID 69107840) is 5-ethyl-2-(methoxymethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethyl-2-(methoxymethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethyl-2-(methoxymethyl)-1H-pyrimidin-6-one is CCc1cnc(COC)[nH]c1=O.
What is the InChIKey of 5-ethyl-2-(methoxymethyl)-1H-pyrimidin-6-one?
The InChIKey is HAPPZQXNJGLOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-3-6-4-9-7(5-12-2)10-8(6)11/h4H,3,5H2,1-2H3,(H,9,10,11).
What are the key properties of 5-ethyl-2-(methoxymethyl)-1H-pyrimidin-6-one?
5-ethyl-2-(methoxymethyl)-1H-pyrimidin-6-one has a molecular weight of 168.20 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(methoxymethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 69107840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).