2-methyl-2-(3-methylphenoxy)-1-[2-[6-(pyrazin-2-ylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one

C24H27N5O3 — CID 110093026

About 2-methyl-2-(3-methylphenoxy)-1-[2-[6-(pyrazin-2-ylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one

2-methyl-2-(3-methylphenoxy)-1-[2-[6-(pyrazin-2-ylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one (PubChem CID 110093026) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is 2-methyl-2-(3-methylphenoxy)-1-[2-[6-(pyrazin-2-ylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one.

Molecular Properties

• Compound Name: 2-methyl-2-(3-methylphenoxy)-1-[2-[6-(pyrazin-2-ylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one
• PubChem CID: 110093026
• Molecular Formula: C24H27N5O3
• Molecular Weight: 433.51 g/mol
• Exact Mass: 433.21
• IUPAC Name: 2-methyl-2-(3-methylphenoxy)-1-[2-[6-(pyrazin-2-ylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one
• SMILES: Cc1cccc(OC(C)(C)C(=O)N2CCOC(c3cccc(Nc4cnccn4)n3)C2)c1
• InChI: InChI=1S/C24H27N5O3/c1-17-6-4-7-18(14-17)32-24(2,3)23(30)29-12-13-31-20(16-29)19-8-5-9-21(27-19)28-22-15-25-10-11-26-22/h4-11,14-15,20H,12-13,16H2,1-3H3,(H,26,27,28)
• InChIKey: JKDITNPCRURDFI-UHFFFAOYSA-N
• XLogP: 3.68
• TPSA: 89.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.51
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(3-methylphenoxy)-1-[2-[6-(pyrazin-2-ylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one?

The IUPAC name of 2-methyl-2-(3-methylphenoxy)-1-[2-[6-(pyrazin-2-ylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one (CID 110093026) is 2-methyl-2-(3-methylphenoxy)-1-[2-[6-(pyrazin-2-ylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one.

What is the SMILES notation for 2-methyl-2-(3-methylphenoxy)-1-[2-[6-(pyrazin-2-ylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one?

The canonical SMILES for 2-methyl-2-(3-methylphenoxy)-1-[2-[6-(pyrazin-2-ylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one is Cc1cccc(OC(C)(C)C(=O)N2CCOC(c3cccc(Nc4cnccn4)n3)C2)c1.

What is the InChIKey of 2-methyl-2-(3-methylphenoxy)-1-[2-[6-(pyrazin-2-ylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one?

The InChIKey is JKDITNPCRURDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-17-6-4-7-18(14-17)32-24(2,3)23(30)29-12-13-31-20(16-29)19-8-5-9-21(27-19)28-22-15-25-10-11-26-22/h4-11,14-15,20H,12-13,16H2,1-3H3,(H,26,27,28).

What are the key properties of 2-methyl-2-(3-methylphenoxy)-1-[2-[6-(pyrazin-2-ylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one?

2-methyl-2-(3-methylphenoxy)-1-[2-[6-(pyrazin-2-ylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one has a molecular weight of 433.51 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-2-(3-methylphenoxy)-1-[2-[6-(pyrazin-2-ylamino)-2-pyridinyl]morpholin-4-yl]propan-1-one is sourced from PubChem (CID 110093026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).