1-(2,3-dimethoxyphenyl)-3-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]urea

C25H26N6O4 — CID 122311435

About 1-(2,3-dimethoxyphenyl)-3-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]urea

1-(2,3-dimethoxyphenyl)-3-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]urea (PubChem CID 122311435) has the molecular formula C25H26N6O4 and a molecular weight of 474.52 g/mol. Its IUPAC name is 1-(2,3-dimethoxyphenyl)-3-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]urea.

Molecular Properties

• Compound Name: 1-(2,3-dimethoxyphenyl)-3-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]urea
• PubChem CID: 122311435
• Molecular Formula: C25H26N6O4
• Molecular Weight: 474.52 g/mol
• Exact Mass: 474.20
• IUPAC Name: 1-(2,3-dimethoxyphenyl)-3-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]urea
• SMILES: COc1cccc(NC(=O)Nc2ccc(Oc3cc(-n4nc(C)c(C)c4C)ncn3)cc2)c1OC
• InChI: InChI=1S/C25H26N6O4/c1-15-16(2)30-31(17(15)3)22-13-23(27-14-26-22)35-19-11-9-18(10-12-19)28-25(32)29-20-7-6-8-21(33-4)24(20)34-5/h6-14H,1-5H3,(H2,28,29,32)
• InChIKey: RVXJYAWTGPJPMQ-UHFFFAOYSA-N
• XLogP: 5.04
• TPSA: 112.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.52
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethoxyphenyl)-3-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]urea?

The IUPAC name of 1-(2,3-dimethoxyphenyl)-3-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]urea (CID 122311435) is 1-(2,3-dimethoxyphenyl)-3-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]urea.

What is the SMILES notation for 1-(2,3-dimethoxyphenyl)-3-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]urea?

The canonical SMILES for 1-(2,3-dimethoxyphenyl)-3-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]urea is COc1cccc(NC(=O)Nc2ccc(Oc3cc(-n4nc(C)c(C)c4C)ncn3)cc2)c1OC.

What is the InChIKey of 1-(2,3-dimethoxyphenyl)-3-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]urea?

The InChIKey is RVXJYAWTGPJPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O4/c1-15-16(2)30-31(17(15)3)22-13-23(27-14-26-22)35-19-11-9-18(10-12-19)28-25(32)29-20-7-6-8-21(33-4)24(20)34-5/h6-14H,1-5H3,(H2,28,29,32).

What are the key properties of 1-(2,3-dimethoxyphenyl)-3-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]urea?

1-(2,3-dimethoxyphenyl)-3-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]urea has a molecular weight of 474.52 g/mol, XLogP of 5.04, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,3-dimethoxyphenyl)-3-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]urea is sourced from PubChem (CID 122311435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).