2-[2-(2-chlorophenyl)-4-(3-methoxyphenyl)-1,2,5,6-tetrahydropyrimidin-6-yl]-6-ethoxyphenol

C25H25ClN2O3 — CID 20970274

IUPAC2-[2-(2-chlorophenyl)-4-(3-methoxyphenyl)-1,2,5,6-tetrahydropyrimidin-6-yl]-6-ethoxyphenol
SMILESCCOc1cccc(C2CC(c3cccc(OC)c3)=NC(c3ccccc3Cl)N2)c1O
InChIInChI=1S/C25H25ClN2O3/c1-3-31-23-13-7-11-19(24(23)29)22-15-21(16-8-6-9-17(14-16)30-2)27-25(28-22)18-10-4-5-12-20(18)26/h4-14,22,25,28-29H,3,15H2,1-2H3
InChIKeyZBJSDUUUERLDGD-UHFFFAOYSA-N
MW436.94 g/mol
LogP5.68
Rot. Bonds6

About 2-[2-(2-chlorophenyl)-4-(3-methoxyphenyl)-1,2,5,6-tetrahydropyrimidin-6-yl]-6-ethoxyphenol

2-[2-(2-chlorophenyl)-4-(3-methoxyphenyl)-1,2,5,6-tetrahydropyrimidin-6-yl]-6-ethoxyphenol (PubChem CID 20970274) has the molecular formula C25H25ClN2O3 and a molecular weight of 436.94 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)-4-(3-methoxyphenyl)-1,2,5,6-tetrahydropyrimidin-6-yl]-6-ethoxyphenol.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)-4-(3-methoxyphenyl)-1,2,5,6-tetrahydropyrimidin-6-yl]-6-ethoxyphenol
PubChem CID20970274
Molecular FormulaC25H25ClN2O3
Molecular Weight436.94 g/mol
Exact Mass436.16
IUPAC Name2-[2-(2-chlorophenyl)-4-(3-methoxyphenyl)-1,2,5,6-tetrahydropyrimidin-6-yl]-6-ethoxyphenol
SMILESCCOc1cccc(C2CC(c3cccc(OC)c3)=NC(c3ccccc3Cl)N2)c1O
InChIInChI=1S/C25H25ClN2O3/c1-3-31-23-13-7-11-19(24(23)29)22-15-21(16-8-6-9-17(14-16)30-2)27-25(28-22)18-10-4-5-12-20(18)26/h4-14,22,25,28-29H,3,15H2,1-2H3
InChIKeyZBJSDUUUERLDGD-UHFFFAOYSA-N
XLogP5.68
TPSA63.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.94
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-[2-(2-chlorophenyl)-4-(3-methoxyphenyl)-1,2,5,6-tetrahydropyrimidin-6-yl]-6-ethoxyphenol 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-[2-(2-Ethoxyphenyl)-6-(4-methoxyphenyl)-2,3,4,5-tetrahydropyrimidin-4-yl]phenol
CID 15995490
2-[4-(4-Fluorophenyl)-9-methyl-1,5,9-triazaspiro[5.5]undec-4-en-2-yl]-6-methoxyphenol
CID 53197729
2-[4-(4-chlorophenyl)-2-methyl-2-propyl-5,6-dihydro-1H-pyrimidin-6-yl]-6-methoxyphenol
CID 16004170
2-[4-(3,4-Dimethoxyphenyl)-2-(4-fluorophenyl)-1,2,5,6-tetrahydropyrimidin-6-yl]phenol
CID 16004171
2-[9-Ethyl-4-(4-fluorophenyl)-1,5,9-triazaspiro[5.5]undec-4-en-2-yl]-6-methoxyphenol
CID 53197730
2-[4-(4-Fluorophenyl)-9-(propan-2-YL)-1,5,9-triazaspiro[5.5]undec-4-EN-2-YL]-6-methoxyphenol
CID 53197731
2-[2-(3,4-Dimethoxyphenyl)-6-(4-methoxyphenyl)-2,3,4,5-tetrahydropyrimidin-4-yl]phenol
CID 15996987
4-Chloro-2-[6-(3-methoxyphenyl)-2-(propan-2-YL)-2,3,4,5-tetrahydropyrimidin-4-YL]phenol
CID 20970279
4-chloro-2-[4-(3-methoxyphenyl)-2,2-dimethyl-5,6-dihydro-1H-pyrimidin-6-yl]phenol
CID 20970290
2-[6-(4-Chlorophenyl)-2-propyl-2,3,4,5-tetrahydropyrimidin-4-yl]-6-methoxyphenol
CID 20970320
2-[4-(3,4-Dimethoxyphenyl)-2-propan-2-yl-1,2,5,6-tetrahydropyrimidin-6-yl]phenol
CID 23885609
4-Chloro-2-[4-(3-methoxyphenyl)-9-methyl-1,5,9-triazaspiro[5.5]undec-4-en-2-yl]phenol
CID 53197689

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)-4-(3-methoxyphenyl)-1,2,5,6-tetrahydropyrimidin-6-yl]-6-ethoxyphenol?
The IUPAC name of 2-[2-(2-chlorophenyl)-4-(3-methoxyphenyl)-1,2,5,6-tetrahydropyrimidin-6-yl]-6-ethoxyphenol (CID 20970274) is 2-[2-(2-chlorophenyl)-4-(3-methoxyphenyl)-1,2,5,6-tetrahydropyrimidin-6-yl]-6-ethoxyphenol.
What is the SMILES notation for 2-[2-(2-chlorophenyl)-4-(3-methoxyphenyl)-1,2,5,6-tetrahydropyrimidin-6-yl]-6-ethoxyphenol?
The canonical SMILES for 2-[2-(2-chlorophenyl)-4-(3-methoxyphenyl)-1,2,5,6-tetrahydropyrimidin-6-yl]-6-ethoxyphenol is CCOc1cccc(C2CC(c3cccc(OC)c3)=NC(c3ccccc3Cl)N2)c1O.
What is the InChIKey of 2-[2-(2-chlorophenyl)-4-(3-methoxyphenyl)-1,2,5,6-tetrahydropyrimidin-6-yl]-6-ethoxyphenol?
The InChIKey is ZBJSDUUUERLDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN2O3/c1-3-31-23-13-7-11-19(24(23)29)22-15-21(16-8-6-9-17(14-16)30-2)27-25(28-22)18-10-4-5-12-20(18)26/h4-14,22,25,28-29H,3,15H2,1-2H3.
What are the key properties of 2-[2-(2-chlorophenyl)-4-(3-methoxyphenyl)-1,2,5,6-tetrahydropyrimidin-6-yl]-6-ethoxyphenol?
2-[2-(2-chlorophenyl)-4-(3-methoxyphenyl)-1,2,5,6-tetrahydropyrimidin-6-yl]-6-ethoxyphenol has a molecular weight of 436.94 g/mol, XLogP of 5.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)-4-(3-methoxyphenyl)-1,2,5,6-tetrahydropyrimidin-6-yl]-6-ethoxyphenol is sourced from PubChem (CID 20970274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).