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

C18H24N6O3 — CID 121064090

IUPAC2-(4-methyl-6-oxopyrimidin-1-yl)-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide
SMILESCc1cc(=O)n(CC(=O)NCCOc2cc(N3CCCCC3)ncn2)cn1
InChIInChI=1S/C18H24N6O3/c1-14-9-18(26)24(13-22-14)11-16(25)19-5-8-27-17-10-15(20-12-21-17)23-6-3-2-4-7-23/h9-10,12-13H,2-8,11H2,1H3,(H,19,25)
InChIKeyZUOVTCCXGSOBEY-UHFFFAOYSA-N
MW372.43 g/mol
LogP0.53
Rot. Bonds7

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

2-(4-methyl-6-oxopyrimidin-1-yl)-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide (PubChem CID 121064090) has the molecular formula C18H24N6O3 and a molecular weight of 372.43 g/mol. Its IUPAC name is 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide.

Molecular Properties

Compound Name2-(4-methyl-6-oxopyrimidin-1-yl)-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide
PubChem CID121064090
Molecular FormulaC18H24N6O3
Molecular Weight372.43 g/mol
Exact Mass372.19
IUPAC Name2-(4-methyl-6-oxopyrimidin-1-yl)-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide
SMILESCc1cc(=O)n(CC(=O)NCCOc2cc(N3CCCCC3)ncn2)cn1
InChIInChI=1S/C18H24N6O3/c1-14-9-18(26)24(13-22-14)11-16(25)19-5-8-27-17-10-15(20-12-21-17)23-6-3-2-4-7-23/h9-10,12-13H,2-8,11H2,1H3,(H,19,25)
InChIKeyZUOVTCCXGSOBEY-UHFFFAOYSA-N
XLogP0.53
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 50.53
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-(4-methyl-6-oxopyrimidin-1-yl)-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide?
The IUPAC name of 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide (CID 121064090) is 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide.
What is the SMILES notation for 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide?
The canonical SMILES for 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide is Cc1cc(=O)n(CC(=O)NCCOc2cc(N3CCCCC3)ncn2)cn1.
What is the InChIKey of 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide?
The InChIKey is ZUOVTCCXGSOBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O3/c1-14-9-18(26)24(13-22-14)11-16(25)19-5-8-27-17-10-15(20-12-21-17)23-6-3-2-4-7-23/h9-10,12-13H,2-8,11H2,1H3,(H,19,25).
What are the key properties of 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide?
2-(4-methyl-6-oxopyrimidin-1-yl)-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide has a molecular weight of 372.43 g/mol, XLogP of 0.53, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-6-oxopyrimidin-1-yl)-N-[2-(6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide is sourced from PubChem (CID 121064090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).