2-[2-(4-fluorophenyl)-4-(3-methoxyphenyl)-1,2,5,6-tetrahydropyrimidin-6-yl]-5-methoxyphenol

C24H23FN2O3 — CID 4079283

IUPAC2-[2-(4-fluorophenyl)-4-(3-methoxyphenyl)-1,2,5,6-tetrahydropyrimidin-6-yl]-5-methoxyphenol
SMILESCOc1cccc(C2=NC(c3ccc(F)cc3)NC(c3ccc(OC)cc3O)C2)c1
InChIInChI=1S/C24H23FN2O3/c1-29-18-5-3-4-16(12-18)21-14-22(20-11-10-19(30-2)13-23(20)28)27-24(26-21)15-6-8-17(25)9-7-15/h3-13,22,24,27-28H,14H2,1-2H3
InChIKeyIQKAVNYLEVOKNA-UHFFFAOYSA-N
MW406.46 g/mol
LogP4.77
Rot. Bonds5

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

2-[2-(4-fluorophenyl)-4-(3-methoxyphenyl)-1,2,5,6-tetrahydropyrimidin-6-yl]-5-methoxyphenol (PubChem CID 4079283) has the molecular formula C24H23FN2O3 and a molecular weight of 406.46 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-4-(3-methoxyphenyl)-1,2,5,6-tetrahydropyrimidin-6-yl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-4-(3-methoxyphenyl)-1,2,5,6-tetrahydropyrimidin-6-yl]-5-methoxyphenol
PubChem CID4079283
Molecular FormulaC24H23FN2O3
Molecular Weight406.46 g/mol
Exact Mass406.17
IUPAC Name2-[2-(4-fluorophenyl)-4-(3-methoxyphenyl)-1,2,5,6-tetrahydropyrimidin-6-yl]-5-methoxyphenol
SMILESCOc1cccc(C2=NC(c3ccc(F)cc3)NC(c3ccc(OC)cc3O)C2)c1
InChIInChI=1S/C24H23FN2O3/c1-29-18-5-3-4-16(12-18)21-14-22(20-11-10-19(30-2)13-23(20)28)27-24(26-21)15-6-8-17(25)9-7-15/h3-13,22,24,27-28H,14H2,1-2H3
InChIKeyIQKAVNYLEVOKNA-UHFFFAOYSA-N
XLogP4.77
TPSA63.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2-(4-fluorophenyl)-4-(3-methoxyphenyl)-1,2,5,6-tetrahydropyrimidin-6-yl]-5-methoxyphenol 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 2-[2-(4-fluorophenyl)-4-(3-methoxyphenyl)-1,2,5,6-tetrahydropyrimidin-6-yl]-5-methoxyphenol?
The IUPAC name of 2-[2-(4-fluorophenyl)-4-(3-methoxyphenyl)-1,2,5,6-tetrahydropyrimidin-6-yl]-5-methoxyphenol (CID 4079283) is 2-[2-(4-fluorophenyl)-4-(3-methoxyphenyl)-1,2,5,6-tetrahydropyrimidin-6-yl]-5-methoxyphenol.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-4-(3-methoxyphenyl)-1,2,5,6-tetrahydropyrimidin-6-yl]-5-methoxyphenol?
The canonical SMILES for 2-[2-(4-fluorophenyl)-4-(3-methoxyphenyl)-1,2,5,6-tetrahydropyrimidin-6-yl]-5-methoxyphenol is COc1cccc(C2=NC(c3ccc(F)cc3)NC(c3ccc(OC)cc3O)C2)c1.
What is the InChIKey of 2-[2-(4-fluorophenyl)-4-(3-methoxyphenyl)-1,2,5,6-tetrahydropyrimidin-6-yl]-5-methoxyphenol?
The InChIKey is IQKAVNYLEVOKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O3/c1-29-18-5-3-4-16(12-18)21-14-22(20-11-10-19(30-2)13-23(20)28)27-24(26-21)15-6-8-17(25)9-7-15/h3-13,22,24,27-28H,14H2,1-2H3.
What are the key properties of 2-[2-(4-fluorophenyl)-4-(3-methoxyphenyl)-1,2,5,6-tetrahydropyrimidin-6-yl]-5-methoxyphenol?
2-[2-(4-fluorophenyl)-4-(3-methoxyphenyl)-1,2,5,6-tetrahydropyrimidin-6-yl]-5-methoxyphenol has a molecular weight of 406.46 g/mol, XLogP of 4.77, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-4-(3-methoxyphenyl)-1,2,5,6-tetrahydropyrimidin-6-yl]-5-methoxyphenol is sourced from PubChem (CID 4079283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).