1-[2-(4-ethylphenyl)-2-oxoethyl]-5-methylpyrimidin-2-one

C15H16N2O2 — CID 63206293

IUPAC1-[2-(4-ethylphenyl)-2-oxoethyl]-5-methylpyrimidin-2-one
SMILESCCc1ccc(C(=O)Cn2cc(C)cnc2=O)cc1
InChIInChI=1S/C15H16N2O2/c1-3-12-4-6-13(7-5-12)14(18)10-17-9-11(2)8-16-15(17)19/h4-9H,3,10H2,1-2H3
InChIKeyZGOUAWZCLQKRPT-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.00
Rot. Bonds4

About 1-[2-(4-ethylphenyl)-2-oxoethyl]-5-methylpyrimidin-2-one

1-[2-(4-ethylphenyl)-2-oxoethyl]-5-methylpyrimidin-2-one (PubChem CID 63206293) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-[2-(4-ethylphenyl)-2-oxoethyl]-5-methylpyrimidin-2-one.

Molecular Properties

Compound Name1-[2-(4-ethylphenyl)-2-oxoethyl]-5-methylpyrimidin-2-one
PubChem CID63206293
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name1-[2-(4-ethylphenyl)-2-oxoethyl]-5-methylpyrimidin-2-one
SMILESCCc1ccc(C(=O)Cn2cc(C)cnc2=O)cc1
InChIInChI=1S/C15H16N2O2/c1-3-12-4-6-13(7-5-12)14(18)10-17-9-11(2)8-16-15(17)19/h4-9H,3,10H2,1-2H3
InChIKeyZGOUAWZCLQKRPT-UHFFFAOYSA-N
XLogP2.00
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-(4-ethylphenyl)-2-oxoethyl]-5-methylpyrimidin-2-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 1-[2-(4-ethylphenyl)-2-oxoethyl]-5-methylpyrimidin-2-one?
The IUPAC name of 1-[2-(4-ethylphenyl)-2-oxoethyl]-5-methylpyrimidin-2-one (CID 63206293) is 1-[2-(4-ethylphenyl)-2-oxoethyl]-5-methylpyrimidin-2-one.
What is the SMILES notation for 1-[2-(4-ethylphenyl)-2-oxoethyl]-5-methylpyrimidin-2-one?
The canonical SMILES for 1-[2-(4-ethylphenyl)-2-oxoethyl]-5-methylpyrimidin-2-one is CCc1ccc(C(=O)Cn2cc(C)cnc2=O)cc1.
What is the InChIKey of 1-[2-(4-ethylphenyl)-2-oxoethyl]-5-methylpyrimidin-2-one?
The InChIKey is ZGOUAWZCLQKRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-3-12-4-6-13(7-5-12)14(18)10-17-9-11(2)8-16-15(17)19/h4-9H,3,10H2,1-2H3.
What are the key properties of 1-[2-(4-ethylphenyl)-2-oxoethyl]-5-methylpyrimidin-2-one?
1-[2-(4-ethylphenyl)-2-oxoethyl]-5-methylpyrimidin-2-one has a molecular weight of 256.31 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethylphenyl)-2-oxoethyl]-5-methylpyrimidin-2-one is sourced from PubChem (CID 63206293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).