2-[6-(4-ethoxyphenyl)-2-(4-methylphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol

C25H26N2O2 — CID 4170313

About 2-[6-(4-ethoxyphenyl)-2-(4-methylphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol

2-[6-(4-ethoxyphenyl)-2-(4-methylphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol (PubChem CID 4170313) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 2-[6-(4-ethoxyphenyl)-2-(4-methylphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol.

Molecular Properties

• Compound Name: 2-[6-(4-ethoxyphenyl)-2-(4-methylphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol
• PubChem CID: 4170313
• Molecular Formula: C25H26N2O2
• Molecular Weight: 386.50 g/mol
• Exact Mass: 386.20
• IUPAC Name: 2-[6-(4-ethoxyphenyl)-2-(4-methylphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol
• SMILES: CCOc1ccc(C2=CC(c3ccccc3O)NC(c3ccc(C)cc3)N2)cc1
• InChI: InChI=1S/C25H26N2O2/c1-3-29-20-14-12-18(13-15-20)22-16-23(21-6-4-5-7-24(21)28)27-25(26-22)19-10-8-17(2)9-11-19/h4-16,23,25-28H,3H2,1-2H3
• InChIKey: ISVQZJSCMYSDTP-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 53.52 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	386.50
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-ethoxyphenyl)-2-(4-methylphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol?

The IUPAC name of 2-[6-(4-ethoxyphenyl)-2-(4-methylphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol (CID 4170313) is 2-[6-(4-ethoxyphenyl)-2-(4-methylphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol.

What is the SMILES notation for 2-[6-(4-ethoxyphenyl)-2-(4-methylphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol?

The canonical SMILES for 2-[6-(4-ethoxyphenyl)-2-(4-methylphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol is CCOc1ccc(C2=CC(c3ccccc3O)NC(c3ccc(C)cc3)N2)cc1.

What is the InChIKey of 2-[6-(4-ethoxyphenyl)-2-(4-methylphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol?

The InChIKey is ISVQZJSCMYSDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-3-29-20-14-12-18(13-15-20)22-16-23(21-6-4-5-7-24(21)28)27-25(26-22)19-10-8-17(2)9-11-19/h4-16,23,25-28H,3H2,1-2H3.

What are the key properties of 2-[6-(4-ethoxyphenyl)-2-(4-methylphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol?

2-[6-(4-ethoxyphenyl)-2-(4-methylphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol has a molecular weight of 386.50 g/mol, XLogP of 5.07, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(4-ethoxyphenyl)-2-(4-methylphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol is sourced from PubChem (CID 4170313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).