2-amino-1-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-one

C13H21N5O — CID 43650100

IUPAC2-amino-1-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-one
SMILESCCCC(N)C(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C13H21N5O/c1-2-4-11(14)12(19)17-7-9-18(10-8-17)13-15-5-3-6-16-13/h3,5-6,11H,2,4,7-10,14H2,1H3
InChIKeyDDQXDTQZZJYJAU-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.25
Rot. Bonds4

About 2-amino-1-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-one

2-amino-1-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-one (PubChem CID 43650100) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-amino-1-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-one.

Molecular Properties

Compound Name2-amino-1-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-one
PubChem CID43650100
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name2-amino-1-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-one
SMILESCCCC(N)C(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C13H21N5O/c1-2-4-11(14)12(19)17-7-9-18(10-8-17)13-15-5-3-6-16-13/h3,5-6,11H,2,4,7-10,14H2,1H3
InChIKeyDDQXDTQZZJYJAU-UHFFFAOYSA-N
XLogP0.25
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-1-(4-pyrimidin-2-ylpiperazin-1-yl)hexan-1-one
CID 60854019
2-amino-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 163198677
2-amino-1-(4-phenylpiperazin-1-yl)pentan-1-one
CID 43650090
(2R)-2-ethyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)hexan-1-one
CID 40579380
(2S)-2-ethyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)butane-1,3-dione
CID 102428225
2-phenyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one
CID 2970650
ethyl 2-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoate
CID 78964151
2-(propylamino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 60671666
3-amino-2-methyl-3-phenyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 119827962
(2S)-2-amino-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)pentan-1-one
CID 94939389
(2S)-2-amino-1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)pentan-1-one
CID 93342682
ethyl 4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]piperazine-1-carboxylate
CID 108531691

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-one?
The IUPAC name of 2-amino-1-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-one (CID 43650100) is 2-amino-1-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-one.
What is the SMILES notation for 2-amino-1-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-one?
The canonical SMILES for 2-amino-1-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-one is CCCC(N)C(=O)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-amino-1-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-one?
The InChIKey is DDQXDTQZZJYJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-2-4-11(14)12(19)17-7-9-18(10-8-17)13-15-5-3-6-16-13/h3,5-6,11H,2,4,7-10,14H2,1H3.
What are the key properties of 2-amino-1-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-one?
2-amino-1-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-one has a molecular weight of 263.34 g/mol, XLogP of 0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-one is sourced from PubChem (CID 43650100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).