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

C21H22N6O2 — CID 95837637

IUPAC2-phenoxy-1-[(2R)-2-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone
SMILESO=C(COc1ccccc1)N1CCCC[C@@H]1c1ccnc(Nc2cnccn2)n1
InChIInChI=1S/C21H22N6O2/c28-20(15-29-16-6-2-1-3-7-16)27-13-5-4-8-18(27)17-9-10-24-21(25-17)26-19-14-22-11-12-23-19/h1-3,6-7,9-12,14,18H,4-5,8,13,15H2,(H,23,24,25,26)/t18-/m1/s1
InChIKeyDJXDAZKEPCEFBG-GOSISDBHSA-N
MW390.45 g/mol
LogP3.14
Rot. Bonds6

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

2-phenoxy-1-[(2R)-2-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone (PubChem CID 95837637) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is 2-phenoxy-1-[(2R)-2-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-phenoxy-1-[(2R)-2-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone
PubChem CID95837637
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC Name2-phenoxy-1-[(2R)-2-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone
SMILESO=C(COc1ccccc1)N1CCCC[C@@H]1c1ccnc(Nc2cnccn2)n1
InChIInChI=1S/C21H22N6O2/c28-20(15-29-16-6-2-1-3-7-16)27-13-5-4-8-18(27)17-9-10-24-21(25-17)26-19-14-22-11-12-23-19/h1-3,6-7,9-12,14,18H,4-5,8,13,15H2,(H,23,24,25,26)/t18-/m1/s1
InChIKeyDJXDAZKEPCEFBG-GOSISDBHSA-N
XLogP3.14
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-phenoxy-1-[(2R)-2-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

4-phenyl-1-[(2S)-2-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]butan-1-one
CID 95838014
2-(4-fluorophenyl)-1-[(2S)-2-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 95837862
cyclopentyl-[2-[2-(pyridin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 110267387
2-phenoxy-1-[(2R)-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)piperidin-1-yl]ethanone
CID 158248873
N-pyrazin-2-yl-4-[(2S)-1-pyrimidin-2-ylpiperidin-2-yl]pyrimidin-2-amine
CID 95837886
1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-phenoxyethanone
CID 127246927
2-hydroxy-1-[(2R)-2-[6-(pyrazin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95835385
3-methoxy-1-[2-[2-methyl-6-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 110270558
2-phenoxy-1-[3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 127252112
2-phenoxy-1-[(2S)-2-[5-(pyridin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95813317
cyclopentyl-[3-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 118740278
3-(4-methoxyphenyl)-1-[2-[2-(pyrimidin-5-ylamino)pyrimidin-4-yl]piperidin-1-yl]propan-1-one
CID 110267356

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-1-[(2R)-2-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-phenoxy-1-[(2R)-2-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone (CID 95837637) is 2-phenoxy-1-[(2R)-2-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-phenoxy-1-[(2R)-2-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-phenoxy-1-[(2R)-2-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone is O=C(COc1ccccc1)N1CCCC[C@@H]1c1ccnc(Nc2cnccn2)n1.
What is the InChIKey of 2-phenoxy-1-[(2R)-2-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone?
The InChIKey is DJXDAZKEPCEFBG-GOSISDBHSA-N. The full InChI is InChI=1S/C21H22N6O2/c28-20(15-29-16-6-2-1-3-7-16)27-13-5-4-8-18(27)17-9-10-24-21(25-17)26-19-14-22-11-12-23-19/h1-3,6-7,9-12,14,18H,4-5,8,13,15H2,(H,23,24,25,26)/t18-/m1/s1.
What are the key properties of 2-phenoxy-1-[(2R)-2-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone?
2-phenoxy-1-[(2R)-2-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone has a molecular weight of 390.45 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-1-[(2R)-2-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 95837637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).