1-[4-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-3-methylphenyl]-3-(2-methoxyphenyl)urea

C25H24N6O3 — CID 58396746

About 1-[4-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-3-methylphenyl]-3-(2-methoxyphenyl)urea

1-[4-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-3-methylphenyl]-3-(2-methoxyphenyl)urea (PubChem CID 58396746) has the molecular formula C25H24N6O3 and a molecular weight of 456.51 g/mol. Its IUPAC name is 1-[4-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-3-methylphenyl]-3-(2-methoxyphenyl)urea.

Molecular Properties

• Compound Name: 1-[4-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-3-methylphenyl]-3-(2-methoxyphenyl)urea
• PubChem CID: 58396746
• Molecular Formula: C25H24N6O3
• Molecular Weight: 456.51 g/mol
• Exact Mass: 456.19
• IUPAC Name: 1-[4-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-3-methylphenyl]-3-(2-methoxyphenyl)urea
• SMILES: CCc1ncnc(-c2cccnc2Oc2ccc(NC(=O)Nc3ccccc3OC)cc2C)n1
• InChI: InChI=1S/C25H24N6O3/c1-4-22-27-15-28-23(31-22)18-8-7-13-26-24(18)34-20-12-11-17(14-16(20)2)29-25(32)30-19-9-5-6-10-21(19)33-3/h5-15H,4H2,1-3H3,(H2,29,30,32)
• InChIKey: PYPJAIGDLWYGOC-UHFFFAOYSA-N
• XLogP: 5.25
• TPSA: 111.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	456.51
LogP ≤ 5	5.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-3-methylphenyl]-3-(2-methoxyphenyl)urea?

The IUPAC name of 1-[4-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-3-methylphenyl]-3-(2-methoxyphenyl)urea (CID 58396746) is 1-[4-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-3-methylphenyl]-3-(2-methoxyphenyl)urea.

What is the SMILES notation for 1-[4-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-3-methylphenyl]-3-(2-methoxyphenyl)urea?

The canonical SMILES for 1-[4-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-3-methylphenyl]-3-(2-methoxyphenyl)urea is CCc1ncnc(-c2cccnc2Oc2ccc(NC(=O)Nc3ccccc3OC)cc2C)n1.

What is the InChIKey of 1-[4-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-3-methylphenyl]-3-(2-methoxyphenyl)urea?

The InChIKey is PYPJAIGDLWYGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O3/c1-4-22-27-15-28-23(31-22)18-8-7-13-26-24(18)34-20-12-11-17(14-16(20)2)29-25(32)30-19-9-5-6-10-21(19)33-3/h5-15H,4H2,1-3H3,(H2,29,30,32).

What are the key properties of 1-[4-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-3-methylphenyl]-3-(2-methoxyphenyl)urea?

1-[4-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-3-methylphenyl]-3-(2-methoxyphenyl)urea has a molecular weight of 456.51 g/mol, XLogP of 5.25, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[[3-(4-ethyl-1,3,5-triazin-2-yl)-2-pyridinyl]oxy]-3-methylphenyl]-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 58396746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).