1-[2-(2-amino-5-phenylpyrimidin-4-yl)piperidin-1-yl]ethanone

C17H20N4O — CID 110266748

IUPAC1-[2-(2-amino-5-phenylpyrimidin-4-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCCC1c1nc(N)ncc1-c1ccccc1
InChIInChI=1S/C17H20N4O/c1-12(22)21-10-6-5-9-15(21)16-14(11-19-17(18)20-16)13-7-3-2-4-8-13/h2-4,7-8,11,15H,5-6,9-10H2,1H3,(H2,18,19,20)
InChIKeyKAQCHNXVDSAJPU-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.80
Rot. Bonds2

About 1-[2-(2-amino-5-phenylpyrimidin-4-yl)piperidin-1-yl]ethanone

1-[2-(2-amino-5-phenylpyrimidin-4-yl)piperidin-1-yl]ethanone (PubChem CID 110266748) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-[2-(2-amino-5-phenylpyrimidin-4-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-(2-amino-5-phenylpyrimidin-4-yl)piperidin-1-yl]ethanone
PubChem CID110266748
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name1-[2-(2-amino-5-phenylpyrimidin-4-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCCC1c1nc(N)ncc1-c1ccccc1
InChIInChI=1S/C17H20N4O/c1-12(22)21-10-6-5-9-15(21)16-14(11-19-17(18)20-16)13-7-3-2-4-8-13/h2-4,7-8,11,15H,5-6,9-10H2,1H3,(H2,18,19,20)
InChIKeyKAQCHNXVDSAJPU-UHFFFAOYSA-N
XLogP2.80
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-2-(2-amino-5-phenylpyrimidin-4-yl)piperidin-1-yl]-2-methoxyethanone
CID 95836907
1-[(2R)-2-(2-amino-5-phenylpyrimidin-4-yl)piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 95837037
1-[2-(2-amino-5-phenylpyrimidin-4-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 110266816
[(2R)-2-(2-amino-5-phenylpyrimidin-4-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 95836745
4-[2-amino-4-(1-benzoylpiperidin-2-yl)pyrimidin-5-yl]benzamide
CID 110266760
4-[2-amino-4-[(2R)-1-benzoylpiperidin-2-yl]pyrimidin-5-yl]benzamide
CID 95836742
[(2R)-2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
CID 95836728
1-[(2S)-2-(2-amino-5-phenylpyrimidin-4-yl)piperidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 95836937
[(2S)-2-[2-amino-5-(3-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-cyclopentylmethanone
CID 95837004
[2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]pyrrolidin-1-yl]-cyclopentylmethanone
CID 110253139
[(2R)-2-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-cyclobutylmethanone
CID 95836927
[2-[2-amino-5-(3-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
CID 110266755

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-amino-5-phenylpyrimidin-4-yl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[2-(2-amino-5-phenylpyrimidin-4-yl)piperidin-1-yl]ethanone (CID 110266748) is 1-[2-(2-amino-5-phenylpyrimidin-4-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-(2-amino-5-phenylpyrimidin-4-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[2-(2-amino-5-phenylpyrimidin-4-yl)piperidin-1-yl]ethanone is CC(=O)N1CCCCC1c1nc(N)ncc1-c1ccccc1.
What is the InChIKey of 1-[2-(2-amino-5-phenylpyrimidin-4-yl)piperidin-1-yl]ethanone?
The InChIKey is KAQCHNXVDSAJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-12(22)21-10-6-5-9-15(21)16-14(11-19-17(18)20-16)13-7-3-2-4-8-13/h2-4,7-8,11,15H,5-6,9-10H2,1H3,(H2,18,19,20).
What are the key properties of 1-[2-(2-amino-5-phenylpyrimidin-4-yl)piperidin-1-yl]ethanone?
1-[2-(2-amino-5-phenylpyrimidin-4-yl)piperidin-1-yl]ethanone has a molecular weight of 296.37 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-amino-5-phenylpyrimidin-4-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 110266748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).