phenyl-[4-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]methanone

C20H20N6O — CID 110094434

IUPACphenyl-[4-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccccc1)N1CCC(c2ccnc(Nc3cnccn3)n2)CC1
InChIInChI=1S/C20H20N6O/c27-19(16-4-2-1-3-5-16)26-12-7-15(8-13-26)17-6-9-23-20(24-17)25-18-14-21-10-11-22-18/h1-6,9-11,14-15H,7-8,12-13H2,(H,22,23,24,25)
InChIKeyAYMKYMQIXROSPA-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.03
Rot. Bonds4

About phenyl-[4-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]methanone

phenyl-[4-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]methanone (PubChem CID 110094434) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is phenyl-[4-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namephenyl-[4-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]methanone
PubChem CID110094434
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Namephenyl-[4-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccccc1)N1CCC(c2ccnc(Nc3cnccn3)n2)CC1
InChIInChI=1S/C20H20N6O/c27-19(16-4-2-1-3-5-16)26-12-7-15(8-13-26)17-6-9-23-20(24-17)25-18-14-21-10-11-22-18/h1-6,9-11,14-15H,7-8,12-13H2,(H,22,23,24,25)
InChIKeyAYMKYMQIXROSPA-UHFFFAOYSA-N
XLogP3.03
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

phenyl-[3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 127252094
1-[3-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 118740404
cyclopentyl-[3-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 118740278
phenyl-[3-[2-(pyrimidin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 127252097
2-[4-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanol
CID 110094417
phenyl-[(3S)-3-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]methanone
CID 124998713
2-amino-1-[(3S)-3-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 95842808
4-piperidin-4-yl-N-pyrazin-2-ylpyrimidin-2-amine;dihydrochloride
CID 171688132
2-(methylamino)-1-[(3S)-3-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 95842844
(4-pyrazin-2-ylpiperidin-1-yl)-pyridin-4-ylmethanone
CID 95824131
3-(4-methoxyphenyl)-1-[(3S)-3-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]propan-1-one
CID 125015542
2-hydroxy-1-[4-[6-(pyrazin-2-ylamino)-2-pyridinyl]piperidin-1-yl]ethanone
CID 110093931

Frequently Asked Questions

What is the IUPAC name of phenyl-[4-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]methanone?
The IUPAC name of phenyl-[4-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]methanone (CID 110094434) is phenyl-[4-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]methanone.
What is the SMILES notation for phenyl-[4-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]methanone?
The canonical SMILES for phenyl-[4-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]methanone is O=C(c1ccccc1)N1CCC(c2ccnc(Nc3cnccn3)n2)CC1.
What is the InChIKey of phenyl-[4-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]methanone?
The InChIKey is AYMKYMQIXROSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c27-19(16-4-2-1-3-5-16)26-12-7-15(8-13-26)17-6-9-23-20(24-17)25-18-14-21-10-11-22-18/h1-6,9-11,14-15H,7-8,12-13H2,(H,22,23,24,25).
What are the key properties of phenyl-[4-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]methanone?
phenyl-[4-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]methanone has a molecular weight of 360.42 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[4-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 110094434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).