[3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-pyrimidin-2-ylmethanone

C16H20N6O2 — CID 91628292

IUPAC[3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-pyrimidin-2-ylmethanone
SMILESCN(C)c1nccnc1OC1CCCN(C(=O)c2ncccn2)C1
InChIInChI=1S/C16H20N6O2/c1-21(2)14-15(20-9-8-19-14)24-12-5-3-10-22(11-12)16(23)13-17-6-4-7-18-13/h4,6-9,12H,3,5,10-11H2,1-2H3
InChIKeyYNVIAQGDTNZTDK-UHFFFAOYSA-N
MW328.38 g/mol
LogP1.02
Rot. Bonds4

About [3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-pyrimidin-2-ylmethanone

[3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-pyrimidin-2-ylmethanone (PubChem CID 91628292) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is [3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-pyrimidin-2-ylmethanone.

Molecular Properties

Compound Name[3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-pyrimidin-2-ylmethanone
PubChem CID91628292
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC Name[3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-pyrimidin-2-ylmethanone
SMILESCN(C)c1nccnc1OC1CCCN(C(=O)c2ncccn2)C1
InChIInChI=1S/C16H20N6O2/c1-21(2)14-15(20-9-8-19-14)24-12-5-3-10-22(11-12)16(23)13-17-6-4-7-18-13/h4,6-9,12H,3,5,10-11H2,1-2H3
InChIKeyYNVIAQGDTNZTDK-UHFFFAOYSA-N
XLogP1.02
TPSA84.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-pyrimidin-2-ylmethanone?
The IUPAC name of [3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-pyrimidin-2-ylmethanone (CID 91628292) is [3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-pyrimidin-2-ylmethanone.
What is the SMILES notation for [3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-pyrimidin-2-ylmethanone?
The canonical SMILES for [3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-pyrimidin-2-ylmethanone is CN(C)c1nccnc1OC1CCCN(C(=O)c2ncccn2)C1.
What is the InChIKey of [3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-pyrimidin-2-ylmethanone?
The InChIKey is YNVIAQGDTNZTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2/c1-21(2)14-15(20-9-8-19-14)24-12-5-3-10-22(11-12)16(23)13-17-6-4-7-18-13/h4,6-9,12H,3,5,10-11H2,1-2H3.
What are the key properties of [3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-pyrimidin-2-ylmethanone?
[3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-pyrimidin-2-ylmethanone has a molecular weight of 328.38 g/mol, XLogP of 1.02, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]-pyrimidin-2-ylmethanone is sourced from PubChem (CID 91628292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).