4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine

C28H31N5O4 — CID 156831887

About 4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine

4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine (PubChem CID 156831887) has the molecular formula C28H31N5O4 and a molecular weight of 501.59 g/mol. Its IUPAC name is 4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine.

Molecular Properties

• Compound Name: 4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine
• PubChem CID: 156831887
• Molecular Formula: C28H31N5O4
• Molecular Weight: 501.59 g/mol
• Exact Mass: 501.24
• IUPAC Name: 4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine
• SMILES: COc1ccc(CCOc2nc(N3CCOCC3)cc(-n3ccc(-c4cccc(C)c4)n3)n2)cc1OC
• InChI: InChI=1S/C28H31N5O4/c1-20-5-4-6-22(17-20)23-9-11-33(31-23)27-19-26(32-12-15-36-16-13-32)29-28(30-27)37-14-10-21-7-8-24(34-2)25(18-21)35-3/h4-9,11,17-19H,10,12-16H2,1-3H3
• InChIKey: WIDSIGKZPJFFKY-UHFFFAOYSA-N
• XLogP: 4.11
• TPSA: 83.76 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.59
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine?

The IUPAC name of 4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine (CID 156831887) is 4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine.

What is the SMILES notation for 4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine?

The canonical SMILES for 4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine is COc1ccc(CCOc2nc(N3CCOCC3)cc(-n3ccc(-c4cccc(C)c4)n3)n2)cc1OC.

What is the InChIKey of 4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine?

The InChIKey is WIDSIGKZPJFFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O4/c1-20-5-4-6-22(17-20)23-9-11-33(31-23)27-19-26(32-12-15-36-16-13-32)29-28(30-27)37-14-10-21-7-8-24(34-2)25(18-21)35-3/h4-9,11,17-19H,10,12-16H2,1-3H3.

What are the key properties of 4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine?

4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine has a molecular weight of 501.59 g/mol, XLogP of 4.11, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[2-(3,4-dimethoxyphenyl)ethoxy]-6-[3-(3-methylphenyl)pyrazol-1-yl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 156831887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).