3-[2-(4-ethylphenyl)-2-hydroxyethyl]-2,6-dimethylpyrimidin-4-one

C16H20N2O2 — CID 63769037

IUPAC3-[2-(4-ethylphenyl)-2-hydroxyethyl]-2,6-dimethylpyrimidin-4-one
SMILESCCc1ccc(C(O)Cn2c(C)nc(C)cc2=O)cc1
InChIInChI=1S/C16H20N2O2/c1-4-13-5-7-14(8-6-13)15(19)10-18-12(3)17-11(2)9-16(18)20/h5-9,15,19H,4,10H2,1-3H3
InChIKeyNAERHXXPHZRJIQ-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.16
Rot. Bonds4

About 3-[2-(4-ethylphenyl)-2-hydroxyethyl]-2,6-dimethylpyrimidin-4-one

3-[2-(4-ethylphenyl)-2-hydroxyethyl]-2,6-dimethylpyrimidin-4-one (PubChem CID 63769037) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-[2-(4-ethylphenyl)-2-hydroxyethyl]-2,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(4-ethylphenyl)-2-hydroxyethyl]-2,6-dimethylpyrimidin-4-one
PubChem CID63769037
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name3-[2-(4-ethylphenyl)-2-hydroxyethyl]-2,6-dimethylpyrimidin-4-one
SMILESCCc1ccc(C(O)Cn2c(C)nc(C)cc2=O)cc1
InChIInChI=1S/C16H20N2O2/c1-4-13-5-7-14(8-6-13)15(19)10-18-12(3)17-11(2)9-16(18)20/h5-9,15,19H,4,10H2,1-3H3
InChIKeyNAERHXXPHZRJIQ-UHFFFAOYSA-N
XLogP2.16
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[2-(4-ethylphenyl)-2-hydroxyethyl]-2,6-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

Related Compounds

3-[(2R)-2-hydroxypropyl]-2,6-dimethylpyrimidin-4-one
CID 96672369
3-(2-cyclopentyl-2-hydroxyethyl)-2,6-dimethylpyrimidin-4-one
CID 104753256
(2,6-dimethyl-4-pyridinyl)-(4-ethylphenyl)methanol
CID 107502814
1-[2-(4-ethylphenyl)-2-hydroxyethyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 79181723
methyl 2-bromo-3-(2,4-dimethyl-6-oxopyrimidin-1-yl)propanoate
CID 81098959
(1S)-2-amino-1-(4-ethylphenyl)ethanol
CID 42182576
2,6-dimethyl-3-(4-oxohexyl)pyrimidin-4-one
CID 106801775
1-(4-ethylphenyl)-2-pyrrolidin-1-ylethanol
CID 56686959
3-decyl-2,6-dimethylpyrimidin-4-one
CID 175080397
3-[(3-amino-4-chlorophenyl)methyl]-2,6-dimethylpyrimidin-4-one
CID 63769163
3-[2-amino-2-(2-methoxyphenyl)ethyl]-2,6-dimethylpyrimidin-4-one
CID 63769351
1-[2-(4-ethylphenyl)-2-hydroxyethyl]-3,3-dimethylpyrrolidine-2,5-dione
CID 65301431

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-ethylphenyl)-2-hydroxyethyl]-2,6-dimethylpyrimidin-4-one?
The IUPAC name of 3-[2-(4-ethylphenyl)-2-hydroxyethyl]-2,6-dimethylpyrimidin-4-one (CID 63769037) is 3-[2-(4-ethylphenyl)-2-hydroxyethyl]-2,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-[2-(4-ethylphenyl)-2-hydroxyethyl]-2,6-dimethylpyrimidin-4-one?
The canonical SMILES for 3-[2-(4-ethylphenyl)-2-hydroxyethyl]-2,6-dimethylpyrimidin-4-one is CCc1ccc(C(O)Cn2c(C)nc(C)cc2=O)cc1.
What is the InChIKey of 3-[2-(4-ethylphenyl)-2-hydroxyethyl]-2,6-dimethylpyrimidin-4-one?
The InChIKey is NAERHXXPHZRJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-4-13-5-7-14(8-6-13)15(19)10-18-12(3)17-11(2)9-16(18)20/h5-9,15,19H,4,10H2,1-3H3.
What are the key properties of 3-[2-(4-ethylphenyl)-2-hydroxyethyl]-2,6-dimethylpyrimidin-4-one?
3-[2-(4-ethylphenyl)-2-hydroxyethyl]-2,6-dimethylpyrimidin-4-one has a molecular weight of 272.35 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-ethylphenyl)-2-hydroxyethyl]-2,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 63769037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).