1-[3-amino-6-(2-methoxypyrimidin-5-yl)pyrazin-2-yl]-2-(2-piperidin-1-ylphenyl)ethanone

C22H24N6O2 — CID 147933467

IUPAC1-[3-amino-6-(2-methoxypyrimidin-5-yl)pyrazin-2-yl]-2-(2-piperidin-1-ylphenyl)ethanone
SMILESCOc1ncc(-c2cnc(N)c(C(=O)Cc3ccccc3N3CCCCC3)n2)cn1
InChIInChI=1S/C22H24N6O2/c1-30-22-25-12-16(13-26-22)17-14-24-21(23)20(27-17)19(29)11-15-7-3-4-8-18(15)28-9-5-2-6-10-28/h3-4,7-8,12-14H,2,5-6,9-11H2,1H3,(H2,23,24)
InChIKeyIKIFMKJUCQUDCJ-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.94
Rot. Bonds6

About 1-[3-amino-6-(2-methoxypyrimidin-5-yl)pyrazin-2-yl]-2-(2-piperidin-1-ylphenyl)ethanone

1-[3-amino-6-(2-methoxypyrimidin-5-yl)pyrazin-2-yl]-2-(2-piperidin-1-ylphenyl)ethanone (PubChem CID 147933467) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is 1-[3-amino-6-(2-methoxypyrimidin-5-yl)pyrazin-2-yl]-2-(2-piperidin-1-ylphenyl)ethanone.

Molecular Properties

Compound Name1-[3-amino-6-(2-methoxypyrimidin-5-yl)pyrazin-2-yl]-2-(2-piperidin-1-ylphenyl)ethanone
PubChem CID147933467
Molecular FormulaC22H24N6O2
Molecular Weight404.47 g/mol
Exact Mass404.20
IUPAC Name1-[3-amino-6-(2-methoxypyrimidin-5-yl)pyrazin-2-yl]-2-(2-piperidin-1-ylphenyl)ethanone
SMILESCOc1ncc(-c2cnc(N)c(C(=O)Cc3ccccc3N3CCCCC3)n2)cn1
InChIInChI=1S/C22H24N6O2/c1-30-22-25-12-16(13-26-22)17-14-24-21(23)20(27-17)19(29)11-15-7-3-4-8-18(15)28-9-5-2-6-10-28/h3-4,7-8,12-14H,2,5-6,9-11H2,1H3,(H2,23,24)
InChIKeyIKIFMKJUCQUDCJ-UHFFFAOYSA-N
XLogP2.94
TPSA107.12 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[3-amino-6-(furan-3-yl)pyrazin-2-yl]-2-[2-(4-aminopiperidin-1-yl)phenyl]ethanone
CID 162256564
1-(3-amino-6-methylpyrazin-2-yl)-2-[2-(3-aminopiperidin-1-yl)phenyl]ethanone
CID 146797458
1-(3-amino-6-phenylpyrazin-2-yl)-2-(4-morpholin-4-yl-3-pyridinyl)ethanone
CID 167691905
2-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-1-(3-amino-6-pyridin-3-ylpyrazin-2-yl)ethanone
CID 147607647
methyl (2S)-2-amino-3-[4-[5-amino-6-[2-(4-morpholin-4-yl-3-pyridinyl)acetyl]pyrazin-2-yl]phenyl]propanoate
CID 167597149
1-[3-amino-6-(3-chlorophenyl)pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone
CID 167618356
1-[3-amino-6-[4-(2-aminoethyl)phenyl]pyrazin-2-yl]-2-[4-(3-methoxyazetidin-1-yl)-3-pyridinyl]ethanone
CID 167699791
1-[3-amino-6-(3-butylphenyl)pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone
CID 167680699
1-(3-aminopyrazin-2-yl)-2-(5-benzoyl-2-piperidin-1-ylphenyl)ethanone
CID 153252209
1-[3-amino-6-[4-(3-aminopropyl)phenyl]pyrazin-2-yl]-2-(4-morpholin-4-yl-3-pyridinyl)ethanone
CID 167672209
1-(3-aminopyrazin-2-yl)-2-(5-chloro-2-piperidin-1-ylphenyl)ethanone
CID 159647183
2-(2-piperidin-1-ylphenyl)acetohydrazide
CID 10847264

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-6-(2-methoxypyrimidin-5-yl)pyrazin-2-yl]-2-(2-piperidin-1-ylphenyl)ethanone?
The IUPAC name of 1-[3-amino-6-(2-methoxypyrimidin-5-yl)pyrazin-2-yl]-2-(2-piperidin-1-ylphenyl)ethanone (CID 147933467) is 1-[3-amino-6-(2-methoxypyrimidin-5-yl)pyrazin-2-yl]-2-(2-piperidin-1-ylphenyl)ethanone.
What is the SMILES notation for 1-[3-amino-6-(2-methoxypyrimidin-5-yl)pyrazin-2-yl]-2-(2-piperidin-1-ylphenyl)ethanone?
The canonical SMILES for 1-[3-amino-6-(2-methoxypyrimidin-5-yl)pyrazin-2-yl]-2-(2-piperidin-1-ylphenyl)ethanone is COc1ncc(-c2cnc(N)c(C(=O)Cc3ccccc3N3CCCCC3)n2)cn1.
What is the InChIKey of 1-[3-amino-6-(2-methoxypyrimidin-5-yl)pyrazin-2-yl]-2-(2-piperidin-1-ylphenyl)ethanone?
The InChIKey is IKIFMKJUCQUDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2/c1-30-22-25-12-16(13-26-22)17-14-24-21(23)20(27-17)19(29)11-15-7-3-4-8-18(15)28-9-5-2-6-10-28/h3-4,7-8,12-14H,2,5-6,9-11H2,1H3,(H2,23,24).
What are the key properties of 1-[3-amino-6-(2-methoxypyrimidin-5-yl)pyrazin-2-yl]-2-(2-piperidin-1-ylphenyl)ethanone?
1-[3-amino-6-(2-methoxypyrimidin-5-yl)pyrazin-2-yl]-2-(2-piperidin-1-ylphenyl)ethanone has a molecular weight of 404.47 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-6-(2-methoxypyrimidin-5-yl)pyrazin-2-yl]-2-(2-piperidin-1-ylphenyl)ethanone is sourced from PubChem (CID 147933467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).