5-ethoxy-2,3-dimethylpyrimidin-4-one

C8H12N2O2 — CID 587678

IUPAC5-ethoxy-2,3-dimethylpyrimidin-4-one
SMILESCCOc1cnc(C)n(C)c1=O
InChIInChI=1S/C8H12N2O2/c1-4-12-7-5-9-6(2)10(3)8(7)11/h5H,4H2,1-3H3
InChIKeyMKIMVYYVJQWSRB-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.49
Rot. Bonds2

About 5-ethoxy-2,3-dimethylpyrimidin-4-one

5-ethoxy-2,3-dimethylpyrimidin-4-one (PubChem CID 587678) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 5-ethoxy-2,3-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name5-ethoxy-2,3-dimethylpyrimidin-4-one
PubChem CID587678
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name5-ethoxy-2,3-dimethylpyrimidin-4-one
SMILESCCOc1cnc(C)n(C)c1=O
InChIInChI=1S/C8H12N2O2/c1-4-12-7-5-9-6(2)10(3)8(7)11/h5H,4H2,1-3H3
InChIKeyMKIMVYYVJQWSRB-UHFFFAOYSA-N
XLogP0.49
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-ethoxy-2,3-dimethylpyrimidin-4-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-ethoxy-2,3-dimethylpyrimidin-4-one?
The IUPAC name of 5-ethoxy-2,3-dimethylpyrimidin-4-one (CID 587678) is 5-ethoxy-2,3-dimethylpyrimidin-4-one.
What is the SMILES notation for 5-ethoxy-2,3-dimethylpyrimidin-4-one?
The canonical SMILES for 5-ethoxy-2,3-dimethylpyrimidin-4-one is CCOc1cnc(C)n(C)c1=O.
What is the InChIKey of 5-ethoxy-2,3-dimethylpyrimidin-4-one?
The InChIKey is MKIMVYYVJQWSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-4-12-7-5-9-6(2)10(3)8(7)11/h5H,4H2,1-3H3.
What are the key properties of 5-ethoxy-2,3-dimethylpyrimidin-4-one?
5-ethoxy-2,3-dimethylpyrimidin-4-one has a molecular weight of 168.20 g/mol, XLogP of 0.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2,3-dimethylpyrimidin-4-one is sourced from PubChem (CID 587678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).