2-ethoxy-6-[6-(4-ethylphenyl)-2-(3-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol

C27H30N2O3 — CID 5187175

About 2-ethoxy-6-[6-(4-ethylphenyl)-2-(3-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol

2-ethoxy-6-[6-(4-ethylphenyl)-2-(3-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol (PubChem CID 5187175) has the molecular formula C27H30N2O3 and a molecular weight of 430.55 g/mol. Its IUPAC name is 2-ethoxy-6-[6-(4-ethylphenyl)-2-(3-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol.

Molecular Properties

• Compound Name: 2-ethoxy-6-[6-(4-ethylphenyl)-2-(3-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol
• PubChem CID: 5187175
• Molecular Formula: C27H30N2O3
• Molecular Weight: 430.55 g/mol
• Exact Mass: 430.23
• IUPAC Name: 2-ethoxy-6-[6-(4-ethylphenyl)-2-(3-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol
• SMILES: CCOc1cccc(C2C=C(c3ccc(CC)cc3)NC(c3cccc(OC)c3)N2)c1O
• InChI: InChI=1S/C27H30N2O3/c1-4-18-12-14-19(15-13-18)23-17-24(22-10-7-11-25(26(22)30)32-5-2)29-27(28-23)20-8-6-9-21(16-20)31-3/h6-17,24,27-30H,4-5H2,1-3H3
• InChIKey: JWIAFXWRTOUGQS-UHFFFAOYSA-N
• XLogP: 5.34
• TPSA: 62.75 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	430.55
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-ethoxy-6-[6-(4-ethylphenyl)-2-(3-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol (CID 5187175) is 2-ethoxy-6-[6-(4-ethylphenyl)-2-(3-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol.

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

The canonical SMILES for 2-ethoxy-6-[6-(4-ethylphenyl)-2-(3-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol is CCOc1cccc(C2C=C(c3ccc(CC)cc3)NC(c3cccc(OC)c3)N2)c1O.

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

The InChIKey is JWIAFXWRTOUGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O3/c1-4-18-12-14-19(15-13-18)23-17-24(22-10-7-11-25(26(22)30)32-5-2)29-27(28-23)20-8-6-9-21(16-20)31-3/h6-17,24,27-30H,4-5H2,1-3H3.

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

2-ethoxy-6-[6-(4-ethylphenyl)-2-(3-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol has a molecular weight of 430.55 g/mol, XLogP of 5.34, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethoxy-6-[6-(4-ethylphenyl)-2-(3-methoxyphenyl)-1,2,3,4-tetrahydropyrimidin-4-yl]phenol is sourced from PubChem (CID 5187175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).