[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-pyridin-2-ylmethanone

C17H20N4O2 — CID 122257904

IUPAC[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-pyridin-2-ylmethanone
SMILESCc1cc(C)nc(OC2CCCN(C(=O)c3ccccn3)C2)n1
InChIInChI=1S/C17H20N4O2/c1-12-10-13(2)20-17(19-12)23-14-6-5-9-21(11-14)16(22)15-7-3-4-8-18-15/h3-4,7-8,10,14H,5-6,9,11H2,1-2H3
InChIKeyNYOQZHYXBRYLPU-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.17
Rot. Bonds3

About [3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-pyridin-2-ylmethanone

[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-pyridin-2-ylmethanone (PubChem CID 122257904) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is [3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-pyridin-2-ylmethanone
PubChem CID122257904
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-pyridin-2-ylmethanone
SMILESCc1cc(C)nc(OC2CCCN(C(=O)c3ccccn3)C2)n1
InChIInChI=1S/C17H20N4O2/c1-12-10-13(2)20-17(19-12)23-14-6-5-9-21(11-14)16(22)15-7-3-4-8-18-15/h3-4,7-8,10,14H,5-6,9,11H2,1-2H3
InChIKeyNYOQZHYXBRYLPU-UHFFFAOYSA-N
XLogP2.17
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

pyridin-2-yl-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122243549
[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-pyridin-2-ylmethanone
CID 122260869
[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 122257888
[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-quinoxalin-6-ylmethanone
CID 122257971
[2-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidine-1-carbonyl]phenyl]-phenylmethanone
CID 122257702
[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-thiophen-3-ylmethanone
CID 122257905
1-benzofuran-2-yl-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122257854
[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 122257799
[(3R)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-quinoxalin-2-ylmethanone
CID 129355538
1-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-2,2-diphenylethanone
CID 122257837
[3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-pyridin-2-ylmethanone
CID 91628265
[(3R)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 129417270

Frequently Asked Questions

What is the IUPAC name of [3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-pyridin-2-ylmethanone (CID 122257904) is [3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-pyridin-2-ylmethanone is Cc1cc(C)nc(OC2CCCN(C(=O)c3ccccn3)C2)n1.
What is the InChIKey of [3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is NYOQZHYXBRYLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-12-10-13(2)20-17(19-12)23-14-6-5-9-21(11-14)16(22)15-7-3-4-8-18-15/h3-4,7-8,10,14H,5-6,9,11H2,1-2H3.
What are the key properties of [3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-pyridin-2-ylmethanone?
[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 312.37 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 122257904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).