2-methoxy-2-[4-[5-methyl-3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]ethanol

C22H27N5O3 — CID 166709521

About 2-methoxy-2-[4-[5-methyl-3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]ethanol

2-methoxy-2-[4-[5-methyl-3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]ethanol (PubChem CID 166709521) has the molecular formula C22H27N5O3 and a molecular weight of 409.49 g/mol. Its IUPAC name is 2-methoxy-2-[4-[5-methyl-3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]ethanol.

Molecular Properties

• Compound Name: 2-methoxy-2-[4-[5-methyl-3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]ethanol
• PubChem CID: 166709521
• Molecular Formula: C22H27N5O3
• Molecular Weight: 409.49 g/mol
• Exact Mass: 409.21
• IUPAC Name: 2-methoxy-2-[4-[5-methyl-3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]ethanol
• SMILES: COC(CO)c1nc(N2CCOCC2)cc(-n2nc(-c3cccc(C)c3)cc2C)n1
• InChI: InChI=1S/C22H27N5O3/c1-15-5-4-6-17(11-15)18-12-16(2)27(25-18)21-13-20(26-7-9-30-10-8-26)23-22(24-21)19(14-28)29-3/h4-6,11-13,19,28H,7-10,14H2,1-3H3
• InChIKey: LWRASLLIRJBPMJ-UHFFFAOYSA-N
• XLogP: 2.46
• TPSA: 85.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.49
LogP ≤ 5	2.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-[4-[5-methyl-3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]ethanol?

The IUPAC name of 2-methoxy-2-[4-[5-methyl-3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]ethanol (CID 166709521) is 2-methoxy-2-[4-[5-methyl-3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]ethanol.

What is the SMILES notation for 2-methoxy-2-[4-[5-methyl-3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]ethanol?

The canonical SMILES for 2-methoxy-2-[4-[5-methyl-3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]ethanol is COC(CO)c1nc(N2CCOCC2)cc(-n2nc(-c3cccc(C)c3)cc2C)n1.

What is the InChIKey of 2-methoxy-2-[4-[5-methyl-3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]ethanol?

The InChIKey is LWRASLLIRJBPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O3/c1-15-5-4-6-17(11-15)18-12-16(2)27(25-18)21-13-20(26-7-9-30-10-8-26)23-22(24-21)19(14-28)29-3/h4-6,11-13,19,28H,7-10,14H2,1-3H3.

What are the key properties of 2-methoxy-2-[4-[5-methyl-3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]ethanol?

2-methoxy-2-[4-[5-methyl-3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]ethanol has a molecular weight of 409.49 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxy-2-[4-[5-methyl-3-(3-methylphenyl)pyrazol-1-yl]-6-morpholin-4-ylpyrimidin-2-yl]ethanol is sourced from PubChem (CID 166709521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).