2-methoxy-1-[2-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone

C16H20N6O2 — CID 110267322

IUPAC2-methoxy-1-[2-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCCCC1c1ccnc(Nc2cnccn2)n1
InChIInChI=1S/C16H20N6O2/c1-24-11-15(23)22-9-3-2-4-13(22)12-5-6-19-16(20-12)21-14-10-17-7-8-18-14/h5-8,10,13H,2-4,9,11H2,1H3,(H,18,19,20,21)
InChIKeyFEAZIONAPOYHQE-UHFFFAOYSA-N
MW328.38 g/mol
LogP1.71
Rot. Bonds5

About 2-methoxy-1-[2-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone

2-methoxy-1-[2-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone (PubChem CID 110267322) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is 2-methoxy-1-[2-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[2-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone
PubChem CID110267322
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC Name2-methoxy-1-[2-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCCCC1c1ccnc(Nc2cnccn2)n1
InChIInChI=1S/C16H20N6O2/c1-24-11-15(23)22-9-3-2-4-13(22)12-5-6-19-16(20-12)21-14-10-17-7-8-18-14/h5-8,10,13H,2-4,9,11H2,1H3,(H,18,19,20,21)
InChIKeyFEAZIONAPOYHQE-UHFFFAOYSA-N
XLogP1.71
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[2-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[2-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone (CID 110267322) is 2-methoxy-1-[2-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[2-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[2-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone is COCC(=O)N1CCCCC1c1ccnc(Nc2cnccn2)n1.
What is the InChIKey of 2-methoxy-1-[2-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone?
The InChIKey is FEAZIONAPOYHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2/c1-24-11-15(23)22-9-3-2-4-13(22)12-5-6-19-16(20-12)21-14-10-17-7-8-18-14/h5-8,10,13H,2-4,9,11H2,1H3,(H,18,19,20,21).
What are the key properties of 2-methoxy-1-[2-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone?
2-methoxy-1-[2-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone has a molecular weight of 328.38 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[2-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 110267322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).