(4-methoxyphenyl)methyl 4-methyl-2-oxo-6-(3-phenoxyphenyl)-5,6-dihydro-1H-pyrimidine-5-carboxylate

C26H24N2O5 — CID 170921312

About (4-methoxyphenyl)methyl 4-methyl-2-oxo-6-(3-phenoxyphenyl)-5,6-dihydro-1H-pyrimidine-5-carboxylate

(4-methoxyphenyl)methyl 4-methyl-2-oxo-6-(3-phenoxyphenyl)-5,6-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 170921312) has the molecular formula C26H24N2O5 and a molecular weight of 444.49 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl 4-methyl-2-oxo-6-(3-phenoxyphenyl)-5,6-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

• Compound Name: (4-methoxyphenyl)methyl 4-methyl-2-oxo-6-(3-phenoxyphenyl)-5,6-dihydro-1H-pyrimidine-5-carboxylate
• PubChem CID: 170921312
• Molecular Formula: C26H24N2O5
• Molecular Weight: 444.49 g/mol
• Exact Mass: 444.17
• IUPAC Name: (4-methoxyphenyl)methyl 4-methyl-2-oxo-6-(3-phenoxyphenyl)-5,6-dihydro-1H-pyrimidine-5-carboxylate
• SMILES: COc1ccc(COC(=O)C2C(C)=NC(=O)NC2c2cccc(Oc3ccccc3)c2)cc1
• InChI: InChI=1S/C26H24N2O5/c1-17-23(25(29)32-16-18-11-13-20(31-2)14-12-18)24(28-26(30)27-17)19-7-6-10-22(15-19)33-21-8-4-3-5-9-21/h3-15,23-24H,16H2,1-2H3,(H,28,30)
• InChIKey: VUHFGEROWDOQDV-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 86.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	444.49
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl 4-methyl-2-oxo-6-(3-phenoxyphenyl)-5,6-dihydro-1H-pyrimidine-5-carboxylate?

The IUPAC name of (4-methoxyphenyl)methyl 4-methyl-2-oxo-6-(3-phenoxyphenyl)-5,6-dihydro-1H-pyrimidine-5-carboxylate (CID 170921312) is (4-methoxyphenyl)methyl 4-methyl-2-oxo-6-(3-phenoxyphenyl)-5,6-dihydro-1H-pyrimidine-5-carboxylate.

What is the SMILES notation for (4-methoxyphenyl)methyl 4-methyl-2-oxo-6-(3-phenoxyphenyl)-5,6-dihydro-1H-pyrimidine-5-carboxylate?

The canonical SMILES for (4-methoxyphenyl)methyl 4-methyl-2-oxo-6-(3-phenoxyphenyl)-5,6-dihydro-1H-pyrimidine-5-carboxylate is COc1ccc(COC(=O)C2C(C)=NC(=O)NC2c2cccc(Oc3ccccc3)c2)cc1.

What is the InChIKey of (4-methoxyphenyl)methyl 4-methyl-2-oxo-6-(3-phenoxyphenyl)-5,6-dihydro-1H-pyrimidine-5-carboxylate?

The InChIKey is VUHFGEROWDOQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O5/c1-17-23(25(29)32-16-18-11-13-20(31-2)14-12-18)24(28-26(30)27-17)19-7-6-10-22(15-19)33-21-8-4-3-5-9-21/h3-15,23-24H,16H2,1-2H3,(H,28,30).

What are the key properties of (4-methoxyphenyl)methyl 4-methyl-2-oxo-6-(3-phenoxyphenyl)-5,6-dihydro-1H-pyrimidine-5-carboxylate?

(4-methoxyphenyl)methyl 4-methyl-2-oxo-6-(3-phenoxyphenyl)-5,6-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 444.49 g/mol, XLogP of 5.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4-methoxyphenyl)methyl 4-methyl-2-oxo-6-(3-phenoxyphenyl)-5,6-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 170921312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).