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

C14H23N5O — CID 60854019

IUPAC2-amino-1-(4-pyrimidin-2-ylpiperazin-1-yl)hexan-1-one
SMILESCCCCC(N)C(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C14H23N5O/c1-2-3-5-12(15)13(20)18-8-10-19(11-9-18)14-16-6-4-7-17-14/h4,6-7,12H,2-3,5,8-11,15H2,1H3
InChIKeyBJCIDSYGLTZFJO-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.64
Rot. Bonds5

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

2-amino-1-(4-pyrimidin-2-ylpiperazin-1-yl)hexan-1-one (PubChem CID 60854019) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-amino-1-(4-pyrimidin-2-ylpiperazin-1-yl)hexan-1-one.

Molecular Properties

Compound Name2-amino-1-(4-pyrimidin-2-ylpiperazin-1-yl)hexan-1-one
PubChem CID60854019
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name2-amino-1-(4-pyrimidin-2-ylpiperazin-1-yl)hexan-1-one
SMILESCCCCC(N)C(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C14H23N5O/c1-2-3-5-12(15)13(20)18-8-10-19(11-9-18)14-16-6-4-7-17-14/h4,6-7,12H,2-3,5,8-11,15H2,1H3
InChIKeyBJCIDSYGLTZFJO-UHFFFAOYSA-N
XLogP0.64
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-1-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-one
CID 43650100
(2R)-2-ethyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)hexan-1-one
CID 40579380
2-amino-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 163198677
2-amino-1-[4-(2-chlorophenyl)piperazin-1-yl]hexan-1-one
CID 60853847
(2S)-2-amino-N-(1-pyrimidin-2-ylpiperidin-4-yl)hexanamide
CID 103831283
2-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]hexan-1-one
CID 60918849
2-amino-1-[4-(2-methylpropanoyl)piperazin-1-yl]hexan-1-one
CID 54870104
(2S)-2-ethyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)butane-1,3-dione
CID 102428225
2-(butylamino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 108993062
2-amino-1-(4-propylpiperazin-1-yl)hexan-1-one
CID 60854021
2-phenyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one
CID 2970650
2-amino-1-(4-phenylpiperazin-1-yl)pentan-1-one
CID 43650090

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-pyrimidin-2-ylpiperazin-1-yl)hexan-1-one?
The IUPAC name of 2-amino-1-(4-pyrimidin-2-ylpiperazin-1-yl)hexan-1-one (CID 60854019) is 2-amino-1-(4-pyrimidin-2-ylpiperazin-1-yl)hexan-1-one.
What is the SMILES notation for 2-amino-1-(4-pyrimidin-2-ylpiperazin-1-yl)hexan-1-one?
The canonical SMILES for 2-amino-1-(4-pyrimidin-2-ylpiperazin-1-yl)hexan-1-one is CCCCC(N)C(=O)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-amino-1-(4-pyrimidin-2-ylpiperazin-1-yl)hexan-1-one?
The InChIKey is BJCIDSYGLTZFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-2-3-5-12(15)13(20)18-8-10-19(11-9-18)14-16-6-4-7-17-14/h4,6-7,12H,2-3,5,8-11,15H2,1H3.
What are the key properties of 2-amino-1-(4-pyrimidin-2-ylpiperazin-1-yl)hexan-1-one?
2-amino-1-(4-pyrimidin-2-ylpiperazin-1-yl)hexan-1-one has a molecular weight of 277.37 g/mol, XLogP of 0.64, 5 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)hexan-1-one is sourced from PubChem (CID 60854019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).