1-(3,5-dimethylphenyl)-3-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]urea

C23H22N6O2 — CID 122310044

About 1-(3,5-dimethylphenyl)-3-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]urea

1-(3,5-dimethylphenyl)-3-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]urea (PubChem CID 122310044) has the molecular formula C23H22N6O2 and a molecular weight of 414.47 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-3-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]urea.

Molecular Properties

• Compound Name: 1-(3,5-dimethylphenyl)-3-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]urea
• PubChem CID: 122310044
• Molecular Formula: C23H22N6O2
• Molecular Weight: 414.47 g/mol
• Exact Mass: 414.18
• IUPAC Name: 1-(3,5-dimethylphenyl)-3-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]urea
• SMILES: Cc1cc(C)cc(NC(=O)Nc2ccc(Oc3cc(-n4cccn4)nc(C)n3)cc2)c1
• InChI: InChI=1S/C23H22N6O2/c1-15-11-16(2)13-19(12-15)28-23(30)27-18-5-7-20(8-6-18)31-22-14-21(25-17(3)26-22)29-10-4-9-24-29/h4-14H,1-3H3,(H2,27,28,30)
• InChIKey: FUQUVTUZWCOCFA-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 93.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	414.47
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-3-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]urea?

The IUPAC name of 1-(3,5-dimethylphenyl)-3-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]urea (CID 122310044) is 1-(3,5-dimethylphenyl)-3-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]urea.

What is the SMILES notation for 1-(3,5-dimethylphenyl)-3-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]urea?

The canonical SMILES for 1-(3,5-dimethylphenyl)-3-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]urea is Cc1cc(C)cc(NC(=O)Nc2ccc(Oc3cc(-n4cccn4)nc(C)n3)cc2)c1.

What is the InChIKey of 1-(3,5-dimethylphenyl)-3-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]urea?

The InChIKey is FUQUVTUZWCOCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2/c1-15-11-16(2)13-19(12-15)28-23(30)27-18-5-7-20(8-6-18)31-22-14-21(25-17(3)26-22)29-10-4-9-24-29/h4-14H,1-3H3,(H2,27,28,30).

What are the key properties of 1-(3,5-dimethylphenyl)-3-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]urea?

1-(3,5-dimethylphenyl)-3-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]urea has a molecular weight of 414.47 g/mol, XLogP of 5.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3,5-dimethylphenyl)-3-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]urea is sourced from PubChem (CID 122310044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).