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

C17H26N4O5 — CID 4988484

IUPACmethyl N-[2-[2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxymethyl]morpholin-4-yl]-2-oxoethyl]carbamate
SMILESCOC(=O)NCC(=O)N1CCOC(COc2cc(C)nc(C(C)C)n2)C1
InChIInChI=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)
InChIKeyPXYZQPONOLVKBN-UHFFFAOYSA-N
MW366.42 g/mol
LogP0.87
Rot. Bonds6

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 Namemethyl N-[2-[2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxymethyl]morpholin-4-yl]-2-oxoethyl]carbamate
PubChem CID4988484
Molecular FormulaC17H26N4O5
Molecular Weight366.42 g/mol
Exact Mass366.19
IUPAC Namemethyl N-[2-[2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxymethyl]morpholin-4-yl]-2-oxoethyl]carbamate
SMILESCOC(=O)NCC(=O)N1CCOC(COc2cc(C)nc(C(C)C)n2)C1
InChIInChI=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)
InChIKeyPXYZQPONOLVKBN-UHFFFAOYSA-N
XLogP0.87
TPSA102.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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).