6-(4-ethoxy-3-methylphenyl)-1H-pyrimidine-2,4-dione

C13H14N2O3 — CID 82295142

IUPAC6-(4-ethoxy-3-methylphenyl)-1H-pyrimidine-2,4-dione
SMILESCCOc1ccc(-c2cc(=O)[nH]c(=O)[nH]2)cc1C
InChIInChI=1S/C13H14N2O3/c1-3-18-11-5-4-9(6-8(11)2)10-7-12(16)15-13(17)14-10/h4-7H,3H2,1-2H3,(H2,14,15,16,17)
InChIKeyJWSKHIFFFGMJQB-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.44
Rot. Bonds3

About 6-(4-ethoxy-3-methylphenyl)-1H-pyrimidine-2,4-dione

6-(4-ethoxy-3-methylphenyl)-1H-pyrimidine-2,4-dione (PubChem CID 82295142) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 6-(4-ethoxy-3-methylphenyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(4-ethoxy-3-methylphenyl)-1H-pyrimidine-2,4-dione
PubChem CID82295142
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name6-(4-ethoxy-3-methylphenyl)-1H-pyrimidine-2,4-dione
SMILESCCOc1ccc(-c2cc(=O)[nH]c(=O)[nH]2)cc1C
InChIInChI=1S/C13H14N2O3/c1-3-18-11-5-4-9(6-8(11)2)10-7-12(16)15-13(17)14-10/h4-7H,3H2,1-2H3,(H2,14,15,16,17)
InChIKeyJWSKHIFFFGMJQB-UHFFFAOYSA-N
XLogP1.44
TPSA74.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-(4-ethoxy-3-methylphenyl)-1H-pyrimidine-2,4-dione 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

2-bromo-5-(4-ethoxy-3-methylphenyl)-1H-imidazole
CID 116884267
1-ethoxy-2-methyl-4-(4-methylphenyl)benzene
CID 59737736
5-(4-ethoxy-3-methylphenyl)-1H-imidazole-2-carboxamide
CID 116883976
4-(3-chloro-4-ethoxyphenyl)-1,3-dihydroimidazol-2-one
CID 116879693
2-(4-ethoxy-3-methylphenyl)-3H-quinazolin-4-one
CID 168551046
6-(4-ethoxy-3-fluorophenyl)-1H-pyridin-2-one
CID 122358370
6-(4-aminophenyl)-1H-pyrimidine-2,4-dione
CID 20980738
4-(4-ethoxy-3-methylphenyl)-6-methylpyrimidine-2-carbaldehyde
CID 116894400
2-ethoxy-4-(3-methyl-4-propoxyphenyl)benzoic acid
CID 71083072
1-(4-ethoxy-3-methylphenyl)sulfanyl-3-(4-methylphenoxy)propan-2-one
CID 70658547
4-(4-ethoxyphenyl)-2-ethyl-1H-pyrimidin-6-one
CID 136691860
5-(4-ethoxy-3-methylphenyl)-1-methylpyrazol-3-amine
CID 82474889

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxy-3-methylphenyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(4-ethoxy-3-methylphenyl)-1H-pyrimidine-2,4-dione (CID 82295142) is 6-(4-ethoxy-3-methylphenyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(4-ethoxy-3-methylphenyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(4-ethoxy-3-methylphenyl)-1H-pyrimidine-2,4-dione is CCOc1ccc(-c2cc(=O)[nH]c(=O)[nH]2)cc1C.
What is the InChIKey of 6-(4-ethoxy-3-methylphenyl)-1H-pyrimidine-2,4-dione?
The InChIKey is JWSKHIFFFGMJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-3-18-11-5-4-9(6-8(11)2)10-7-12(16)15-13(17)14-10/h4-7H,3H2,1-2H3,(H2,14,15,16,17).
What are the key properties of 6-(4-ethoxy-3-methylphenyl)-1H-pyrimidine-2,4-dione?
6-(4-ethoxy-3-methylphenyl)-1H-pyrimidine-2,4-dione has a molecular weight of 246.27 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxy-3-methylphenyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 82295142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).