5-[2-(cyclohexen-1-yl)ethyliminomethyl]-6-hydroxy-1-(4-methylphenyl)pyrimidine-2,4-dione

C20H23N3O3 — CID 2244548

IUPAC5-[2-(cyclohexen-1-yl)ethyliminomethyl]-6-hydroxy-1-(4-methylphenyl)pyrimidine-2,4-dione
SMILESCc1ccc(-n2c(O)c(/C=N/CCC3=CCCCC3)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C20H23N3O3/c1-14-7-9-16(10-8-14)23-19(25)17(18(24)22-20(23)26)13-21-12-11-15-5-3-2-4-6-15/h5,7-10,13,25H,2-4,6,11-12H2,1H3,(H,22,24,26)/b21-13+
InChIKeyAUULVCVTCBMAKD-FYJGNVAPSA-N
MW353.42 g/mol
LogP2.85
Rot. Bonds5

About 5-[2-(cyclohexen-1-yl)ethyliminomethyl]-6-hydroxy-1-(4-methylphenyl)pyrimidine-2,4-dione

5-[2-(cyclohexen-1-yl)ethyliminomethyl]-6-hydroxy-1-(4-methylphenyl)pyrimidine-2,4-dione (PubChem CID 2244548) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 5-[2-(cyclohexen-1-yl)ethyliminomethyl]-6-hydroxy-1-(4-methylphenyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[2-(cyclohexen-1-yl)ethyliminomethyl]-6-hydroxy-1-(4-methylphenyl)pyrimidine-2,4-dione
PubChem CID2244548
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name5-[2-(cyclohexen-1-yl)ethyliminomethyl]-6-hydroxy-1-(4-methylphenyl)pyrimidine-2,4-dione
SMILESCc1ccc(-n2c(O)c(/C=N/CCC3=CCCCC3)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C20H23N3O3/c1-14-7-9-16(10-8-14)23-19(25)17(18(24)22-20(23)26)13-21-12-11-15-5-3-2-4-6-15/h5,7-10,13,25H,2-4,6,11-12H2,1H3,(H,22,24,26)/b21-13+
InChIKeyAUULVCVTCBMAKD-FYJGNVAPSA-N
XLogP2.85
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5-[2-(cyclohexen-1-yl)ethyliminomethyl]-6-hydroxy-1-(4-methylphenyl)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

Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyclohexen-1-yl)ethyliminomethyl]-6-hydroxy-1-(4-methylphenyl)pyrimidine-2,4-dione?
The IUPAC name of 5-[2-(cyclohexen-1-yl)ethyliminomethyl]-6-hydroxy-1-(4-methylphenyl)pyrimidine-2,4-dione (CID 2244548) is 5-[2-(cyclohexen-1-yl)ethyliminomethyl]-6-hydroxy-1-(4-methylphenyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-[2-(cyclohexen-1-yl)ethyliminomethyl]-6-hydroxy-1-(4-methylphenyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-[2-(cyclohexen-1-yl)ethyliminomethyl]-6-hydroxy-1-(4-methylphenyl)pyrimidine-2,4-dione is Cc1ccc(-n2c(O)c(/C=N/CCC3=CCCCC3)c(=O)[nH]c2=O)cc1.
What is the InChIKey of 5-[2-(cyclohexen-1-yl)ethyliminomethyl]-6-hydroxy-1-(4-methylphenyl)pyrimidine-2,4-dione?
The InChIKey is AUULVCVTCBMAKD-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-14-7-9-16(10-8-14)23-19(25)17(18(24)22-20(23)26)13-21-12-11-15-5-3-2-4-6-15/h5,7-10,13,25H,2-4,6,11-12H2,1H3,(H,22,24,26)/b21-13+.
What are the key properties of 5-[2-(cyclohexen-1-yl)ethyliminomethyl]-6-hydroxy-1-(4-methylphenyl)pyrimidine-2,4-dione?
5-[2-(cyclohexen-1-yl)ethyliminomethyl]-6-hydroxy-1-(4-methylphenyl)pyrimidine-2,4-dione has a molecular weight of 353.42 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(cyclohexen-1-yl)ethyliminomethyl]-6-hydroxy-1-(4-methylphenyl)pyrimidine-2,4-dione is sourced from PubChem (CID 2244548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).