methyl N-[2-[2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxymethyl]morpholin-4-yl]-2-oxoethyl]carbamate

C17H26N4O5 — CID 4988484

About methyl N-[2-[2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxymethyl]morpholin-4-yl]-2-oxoethyl]carbamate

methyl N-[2-[2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxymethyl]morpholin-4-yl]-2-oxoethyl]carbamate (PubChem CID 4988484) has the molecular formula C17H26N4O5 and a molecular weight of 366.42 g/mol. Its IUPAC name is methyl N-[2-[2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxymethyl]morpholin-4-yl]-2-oxoethyl]carbamate.

Molecular Properties

• Compound Name: methyl N-[2-[2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxymethyl]morpholin-4-yl]-2-oxoethyl]carbamate
• PubChem CID: 4988484
• Molecular Formula: C17H26N4O5
• Molecular Weight: 366.42 g/mol
• Exact Mass: 366.19
• IUPAC Name: methyl N-[2-[2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxymethyl]morpholin-4-yl]-2-oxoethyl]carbamate
• SMILES: COC(=O)NCC(=O)N1CCOC(COc2cc(C)nc(C(C)C)n2)C1
• InChI: InChI=1S/C17H26N4O5/c1-11(2)16-19-12(3)7-14(20-16)26-10-13-9-21(5-6-25-13)15(22)8-18-17(23)24-4/h7,11,13H,5-6,8-10H2,1-4H3,(H,18,23)
• InChIKey: PXYZQPONOLVKBN-UHFFFAOYSA-N
• XLogP: 0.87
• TPSA: 102.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.42
LogP ≤ 5	0.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxymethyl]morpholin-4-yl]-2-oxoethyl]carbamate?

The IUPAC name of methyl N-[2-[2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxymethyl]morpholin-4-yl]-2-oxoethyl]carbamate (CID 4988484) is methyl N-[2-[2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxymethyl]morpholin-4-yl]-2-oxoethyl]carbamate.

What is the SMILES notation for methyl N-[2-[2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxymethyl]morpholin-4-yl]-2-oxoethyl]carbamate?

The canonical SMILES for methyl N-[2-[2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxymethyl]morpholin-4-yl]-2-oxoethyl]carbamate is COC(=O)NCC(=O)N1CCOC(COc2cc(C)nc(C(C)C)n2)C1.

What is the InChIKey of methyl N-[2-[2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxymethyl]morpholin-4-yl]-2-oxoethyl]carbamate?

The InChIKey is PXYZQPONOLVKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O5/c1-11(2)16-19-12(3)7-14(20-16)26-10-13-9-21(5-6-25-13)15(22)8-18-17(23)24-4/h7,11,13H,5-6,8-10H2,1-4H3,(H,18,23).

What are the key properties of methyl N-[2-[2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxymethyl]morpholin-4-yl]-2-oxoethyl]carbamate?

methyl N-[2-[2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxymethyl]morpholin-4-yl]-2-oxoethyl]carbamate has a molecular weight of 366.42 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl N-[2-[2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxymethyl]morpholin-4-yl]-2-oxoethyl]carbamate is sourced from PubChem (CID 4988484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).