2-methoxy-1-[3-[5-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone

C16H20N6O2 — CID 110256403

IUPAC2-methoxy-1-[3-[5-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCCC(c2cnc(Nc3ncccn3)cn2)C1
InChIInChI=1S/C16H20N6O2/c1-24-11-15(23)22-7-2-4-12(10-22)13-8-20-14(9-19-13)21-16-17-5-3-6-18-16/h3,5-6,8-9,12H,2,4,7,10-11H2,1H3,(H,17,18,20,21)
InChIKeyJYXSQYAGQRVIJD-UHFFFAOYSA-N
MW328.38 g/mol
LogP1.36
Rot. Bonds5

About 2-methoxy-1-[3-[5-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone

2-methoxy-1-[3-[5-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone (PubChem CID 110256403) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is 2-methoxy-1-[3-[5-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[3-[5-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone
PubChem CID110256403
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC Name2-methoxy-1-[3-[5-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone
SMILESCOCC(=O)N1CCCC(c2cnc(Nc3ncccn3)cn2)C1
InChIInChI=1S/C16H20N6O2/c1-24-11-15(23)22-7-2-4-12(10-22)13-8-20-14(9-19-13)21-16-17-5-3-6-18-16/h3,5-6,8-9,12H,2,4,7,10-11H2,1H3,(H,17,18,20,21)
InChIKeyJYXSQYAGQRVIJD-UHFFFAOYSA-N
XLogP1.36
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 ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(3R)-3-[5-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 95822420
1-[(3S)-3-[5-(pyridin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 95822419
2-[3-[5-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propane-1,3-diol
CID 110256881
1-[(3S)-3-[5-(pyrazin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 95822423
5-(1-propan-2-ylpiperidin-3-yl)-N-pyrimidin-2-ylpyrazin-2-amine
CID 110256171
2-methoxy-1-[(3S)-3-[5-(5-methyl-1H-pyrazol-3-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 124993641
1-[3-[2-methyl-6-(pyrimidin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 110256849
3-[5-[(3R)-1-(2-methoxyacetyl)piperidin-3-yl]pyrazin-2-yl]-4,4-dimethyl-1,3-oxazolidin-2-one
CID 124968428
2-methoxy-1-[(3S)-3-[4-methyl-6-(pyrazin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 95820268
2-methoxy-1-[(3R)-3-[4-methyl-6-(pyridin-2-ylamino)pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 95820261
1-[(3S)-3-[3-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 124959791
1-[(3S)-3-[6-(pyrimidin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone
CID 95835868

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[3-[5-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[3-[5-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone (CID 110256403) is 2-methoxy-1-[3-[5-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[3-[5-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[3-[5-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone is COCC(=O)N1CCCC(c2cnc(Nc3ncccn3)cn2)C1.
What is the InChIKey of 2-methoxy-1-[3-[5-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone?
The InChIKey is JYXSQYAGQRVIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2/c1-24-11-15(23)22-7-2-4-12(10-22)13-8-20-14(9-19-13)21-16-17-5-3-6-18-16/h3,5-6,8-9,12H,2,4,7,10-11H2,1H3,(H,17,18,20,21).
What are the key properties of 2-methoxy-1-[3-[5-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone?
2-methoxy-1-[3-[5-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone has a molecular weight of 328.38 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[3-[5-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 110256403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).