2-(6-oxopyrimidin-1-yl)-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide

C17H22N6O3 — CID 121064265

IUPAC2-(6-oxopyrimidin-1-yl)-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide
SMILESO=C(Cn1cnccc1=O)NCCOc1cc(N2CCCCC2)ncn1
InChIInChI=1S/C17H22N6O3/c24-15(11-23-13-18-5-4-17(23)25)19-6-9-26-16-10-14(20-12-21-16)22-7-2-1-3-8-22/h4-5,10,12-13H,1-3,6-9,11H2,(H,19,24)
InChIKeyGSIBMKUIWWHTGM-UHFFFAOYSA-N
MW358.40 g/mol
LogP0.22
Rot. Bonds7

About 2-(6-oxopyrimidin-1-yl)-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide

2-(6-oxopyrimidin-1-yl)-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide (PubChem CID 121064265) has the molecular formula C17H22N6O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is 2-(6-oxopyrimidin-1-yl)-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide.

Molecular Properties

Compound Name2-(6-oxopyrimidin-1-yl)-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide
PubChem CID121064265
Molecular FormulaC17H22N6O3
Molecular Weight358.40 g/mol
Exact Mass358.18
IUPAC Name2-(6-oxopyrimidin-1-yl)-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide
SMILESO=C(Cn1cnccc1=O)NCCOc1cc(N2CCCCC2)ncn1
InChIInChI=1S/C17H22N6O3/c24-15(11-23-13-18-5-4-17(23)25)19-6-9-26-16-10-14(20-12-21-16)22-7-2-1-3-8-22/h4-5,10,12-13H,1-3,6-9,11H2,(H,19,24)
InChIKeyGSIBMKUIWWHTGM-UHFFFAOYSA-N
XLogP0.22
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-oxopyrimidin-1-yl)-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide?
The IUPAC name of 2-(6-oxopyrimidin-1-yl)-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide (CID 121064265) is 2-(6-oxopyrimidin-1-yl)-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide.
What is the SMILES notation for 2-(6-oxopyrimidin-1-yl)-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide?
The canonical SMILES for 2-(6-oxopyrimidin-1-yl)-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide is O=C(Cn1cnccc1=O)NCCOc1cc(N2CCCCC2)ncn1.
What is the InChIKey of 2-(6-oxopyrimidin-1-yl)-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide?
The InChIKey is GSIBMKUIWWHTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O3/c24-15(11-23-13-18-5-4-17(23)25)19-6-9-26-16-10-14(20-12-21-16)22-7-2-1-3-8-22/h4-5,10,12-13H,1-3,6-9,11H2,(H,19,24).
What are the key properties of 2-(6-oxopyrimidin-1-yl)-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide?
2-(6-oxopyrimidin-1-yl)-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide has a molecular weight of 358.40 g/mol, XLogP of 0.22, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxopyrimidin-1-yl)-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide is sourced from PubChem (CID 121064265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).