2-(4,6-dimethoxypyrimidin-2-yl)oxy-N-[(2S)-1-(ethylamino)-3-methyl-1-oxopentan-2-yl]benzamide

C21H28N4O5 — CID 20788818

About 2-(4,6-dimethoxypyrimidin-2-yl)oxy-N-[(2S)-1-(ethylamino)-3-methyl-1-oxopentan-2-yl]benzamide

2-(4,6-dimethoxypyrimidin-2-yl)oxy-N-[(2S)-1-(ethylamino)-3-methyl-1-oxopentan-2-yl]benzamide (PubChem CID 20788818) has the molecular formula C21H28N4O5 and a molecular weight of 416.48 g/mol. Its IUPAC name is 2-(4,6-dimethoxypyrimidin-2-yl)oxy-N-[(2S)-1-(ethylamino)-3-methyl-1-oxopentan-2-yl]benzamide.

Molecular Properties

• Compound Name: 2-(4,6-dimethoxypyrimidin-2-yl)oxy-N-[(2S)-1-(ethylamino)-3-methyl-1-oxopentan-2-yl]benzamide
• PubChem CID: 20788818
• Molecular Formula: C21H28N4O5
• Molecular Weight: 416.48 g/mol
• Exact Mass: 416.21
• IUPAC Name: 2-(4,6-dimethoxypyrimidin-2-yl)oxy-N-[(2S)-1-(ethylamino)-3-methyl-1-oxopentan-2-yl]benzamide
• SMILES: CCNC(=O)[C@@H](NC(=O)c1ccccc1Oc1nc(OC)cc(OC)n1)C(C)CC
• InChI: InChI=1S/C21H28N4O5/c1-6-13(3)18(20(27)22-7-2)25-19(26)14-10-8-9-11-15(14)30-21-23-16(28-4)12-17(24-21)29-5/h8-13,18H,6-7H2,1-5H3,(H,22,27)(H,25,26)/t13?,18-/m0/s1
• InChIKey: ANYFTVFYDASTPA-UWBLVGDVSA-N
• XLogP: 2.57
• TPSA: 111.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.48
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethoxypyrimidin-2-yl)oxy-N-[(2S)-1-(ethylamino)-3-methyl-1-oxopentan-2-yl]benzamide?

The IUPAC name of 2-(4,6-dimethoxypyrimidin-2-yl)oxy-N-[(2S)-1-(ethylamino)-3-methyl-1-oxopentan-2-yl]benzamide (CID 20788818) is 2-(4,6-dimethoxypyrimidin-2-yl)oxy-N-[(2S)-1-(ethylamino)-3-methyl-1-oxopentan-2-yl]benzamide.

What is the SMILES notation for 2-(4,6-dimethoxypyrimidin-2-yl)oxy-N-[(2S)-1-(ethylamino)-3-methyl-1-oxopentan-2-yl]benzamide?

The canonical SMILES for 2-(4,6-dimethoxypyrimidin-2-yl)oxy-N-[(2S)-1-(ethylamino)-3-methyl-1-oxopentan-2-yl]benzamide is CCNC(=O)[C@@H](NC(=O)c1ccccc1Oc1nc(OC)cc(OC)n1)C(C)CC.

What is the InChIKey of 2-(4,6-dimethoxypyrimidin-2-yl)oxy-N-[(2S)-1-(ethylamino)-3-methyl-1-oxopentan-2-yl]benzamide?

The InChIKey is ANYFTVFYDASTPA-UWBLVGDVSA-N. The full InChI is InChI=1S/C21H28N4O5/c1-6-13(3)18(20(27)22-7-2)25-19(26)14-10-8-9-11-15(14)30-21-23-16(28-4)12-17(24-21)29-5/h8-13,18H,6-7H2,1-5H3,(H,22,27)(H,25,26)/t13?,18-/m0/s1.

What are the key properties of 2-(4,6-dimethoxypyrimidin-2-yl)oxy-N-[(2S)-1-(ethylamino)-3-methyl-1-oxopentan-2-yl]benzamide?

2-(4,6-dimethoxypyrimidin-2-yl)oxy-N-[(2S)-1-(ethylamino)-3-methyl-1-oxopentan-2-yl]benzamide has a molecular weight of 416.48 g/mol, XLogP of 2.57, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4,6-dimethoxypyrimidin-2-yl)oxy-N-[(2S)-1-(ethylamino)-3-methyl-1-oxopentan-2-yl]benzamide is sourced from PubChem (CID 20788818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).