2-[4-(4-methoxyphenyl)-2-thiophen-3-yl-1,2,5,6-tetrahydropyrimidin-6-yl]phenol

C21H20N2O2S — CID 23603272

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

2-[4-(4-methoxyphenyl)-2-thiophen-3-yl-1,2,5,6-tetrahydropyrimidin-6-yl]phenol (PubChem CID 23603272) has the molecular formula C21H20N2O2S and a molecular weight of 364.47 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)-2-thiophen-3-yl-1,2,5,6-tetrahydropyrimidin-6-yl]phenol.

Molecular Properties

• Compound Name: 2-[4-(4-methoxyphenyl)-2-thiophen-3-yl-1,2,5,6-tetrahydropyrimidin-6-yl]phenol
• PubChem CID: 23603272
• Molecular Formula: C21H20N2O2S
• Molecular Weight: 364.47 g/mol
• Exact Mass: 364.12
• IUPAC Name: 2-[4-(4-methoxyphenyl)-2-thiophen-3-yl-1,2,5,6-tetrahydropyrimidin-6-yl]phenol
• SMILES: COc1ccc(C2=NC(c3ccsc3)NC(c3ccccc3O)C2)cc1
• InChI: InChI=1S/C21H20N2O2S/c1-25-16-8-6-14(7-9-16)18-12-19(17-4-2-3-5-20(17)24)23-21(22-18)15-10-11-26-13-15/h2-11,13,19,21,23-24H,12H2,1H3
• InChIKey: CWGSBCWWYSXVIT-UHFFFAOYSA-N
• XLogP: 4.68
• TPSA: 53.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.47
LogP ≤ 5	4.68
H-Bond Donors ≤ 5	2
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-[4-(4-methoxyphenyl)-2-thiophen-3-yl-1,2,5,6-tetrahydropyrimidin-6-yl]phenol?

The IUPAC name of 2-[4-(4-methoxyphenyl)-2-thiophen-3-yl-1,2,5,6-tetrahydropyrimidin-6-yl]phenol (CID 23603272) is 2-[4-(4-methoxyphenyl)-2-thiophen-3-yl-1,2,5,6-tetrahydropyrimidin-6-yl]phenol.

What is the SMILES notation for 2-[4-(4-methoxyphenyl)-2-thiophen-3-yl-1,2,5,6-tetrahydropyrimidin-6-yl]phenol?

The canonical SMILES for 2-[4-(4-methoxyphenyl)-2-thiophen-3-yl-1,2,5,6-tetrahydropyrimidin-6-yl]phenol is COc1ccc(C2=NC(c3ccsc3)NC(c3ccccc3O)C2)cc1.

What is the InChIKey of 2-[4-(4-methoxyphenyl)-2-thiophen-3-yl-1,2,5,6-tetrahydropyrimidin-6-yl]phenol?

The InChIKey is CWGSBCWWYSXVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2S/c1-25-16-8-6-14(7-9-16)18-12-19(17-4-2-3-5-20(17)24)23-21(22-18)15-10-11-26-13-15/h2-11,13,19,21,23-24H,12H2,1H3.

What are the key properties of 2-[4-(4-methoxyphenyl)-2-thiophen-3-yl-1,2,5,6-tetrahydropyrimidin-6-yl]phenol?

2-[4-(4-methoxyphenyl)-2-thiophen-3-yl-1,2,5,6-tetrahydropyrimidin-6-yl]phenol has a molecular weight of 364.47 g/mol, XLogP of 4.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(4-methoxyphenyl)-2-thiophen-3-yl-1,2,5,6-tetrahydropyrimidin-6-yl]phenol is sourced from PubChem (CID 23603272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).