2-amino-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one;dihydrochloride

C11H19Cl2N5O — CID 163198677

IUPAC2-amino-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one;dihydrochloride
SMILESCC(N)C(=O)N1CCN(c2ncccn2)CC1.Cl.Cl
InChIInChI=1S/C11H17N5O.2ClH/c1-9(12)10(17)15-5-7-16(8-6-15)11-13-3-2-4-14-11;;/h2-4,9H,5-8,12H2,1H3;2*1H
InChIKeyHPAHHJCBMLVFMQ-UHFFFAOYSA-N
MW308.21 g/mol
LogP0.32
Rot. Bonds2

About 2-amino-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one;dihydrochloride

2-amino-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one;dihydrochloride (PubChem CID 163198677) has the molecular formula C11H19Cl2N5O and a molecular weight of 308.21 g/mol. Its IUPAC name is 2-amino-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one;dihydrochloride.

Molecular Properties

Compound Name2-amino-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one;dihydrochloride
PubChem CID163198677
Molecular FormulaC11H19Cl2N5O
Molecular Weight308.21 g/mol
Exact Mass307.10
IUPAC Name2-amino-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one;dihydrochloride
SMILESCC(N)C(=O)N1CCN(c2ncccn2)CC1.Cl.Cl
InChIInChI=1S/C11H17N5O.2ClH/c1-9(12)10(17)15-5-7-16(8-6-15)11-13-3-2-4-14-11;;/h2-4,9H,5-8,12H2,1H3;2*1H
InChIKeyHPAHHJCBMLVFMQ-UHFFFAOYSA-N
XLogP0.32
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.21
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-2-methyl-3-phenyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 119827961
2-amino-1-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-one
CID 43650100
1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 3412822
3-amino-2-methyl-3-phenyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 119827962
2-amino-1-(4-pyrimidin-2-ylpiperazin-1-yl)hexan-1-one
CID 60854019
[(2S)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl] 3-aminopyrazine-2-carboxylate
CID 30257912
(2S)-2-ethyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)butane-1,3-dione
CID 102428225
2-amino-1-[4-(3-nitro-2-pyridinyl)piperazin-1-yl]propan-1-one
CID 61260513
2,2-diphenyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 3636025
ethyl 4-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]piperazine-1-carboxylate
CID 108531691
2-(3,5-dimethylpyrazol-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 47986482
(2R)-2-(4-methylphenyl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 9427598

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one;dihydrochloride?
The IUPAC name of 2-amino-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one;dihydrochloride (CID 163198677) is 2-amino-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one;dihydrochloride.
What is the SMILES notation for 2-amino-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one;dihydrochloride?
The canonical SMILES for 2-amino-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one;dihydrochloride is CC(N)C(=O)N1CCN(c2ncccn2)CC1.Cl.Cl.
What is the InChIKey of 2-amino-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one;dihydrochloride?
The InChIKey is HPAHHJCBMLVFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O.2ClH/c1-9(12)10(17)15-5-7-16(8-6-15)11-13-3-2-4-14-11;;/h2-4,9H,5-8,12H2,1H3;2*1H.
What are the key properties of 2-amino-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one;dihydrochloride?
2-amino-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one;dihydrochloride has a molecular weight of 308.21 g/mol, XLogP of 0.32, 2 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)propan-1-one;dihydrochloride is sourced from PubChem (CID 163198677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).