2-(5-amino-2-pyridinyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;dihydrochloride

C15H20Cl2N6O — CID 120639461

IUPAC2-(5-amino-2-pyridinyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;dihydrochloride
SMILESCl.Cl.Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)nc1
InChIInChI=1S/C15H18N6O.2ClH/c16-12-2-3-13(19-11-12)10-14(22)20-6-8-21(9-7-20)15-17-4-1-5-18-15;;/h1-5,11H,6-10,16H2;2*1H
InChIKeyUXYJQPRYPZOIOX-UHFFFAOYSA-N
MW371.27 g/mol
LogP1.19
Rot. Bonds3

About 2-(5-amino-2-pyridinyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;dihydrochloride

2-(5-amino-2-pyridinyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;dihydrochloride (PubChem CID 120639461) has the molecular formula C15H20Cl2N6O and a molecular weight of 371.27 g/mol. Its IUPAC name is 2-(5-amino-2-pyridinyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;dihydrochloride.

Molecular Properties

Compound Name2-(5-amino-2-pyridinyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;dihydrochloride
PubChem CID120639461
Molecular FormulaC15H20Cl2N6O
Molecular Weight371.27 g/mol
Exact Mass370.11
IUPAC Name2-(5-amino-2-pyridinyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;dihydrochloride
SMILESCl.Cl.Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)nc1
InChIInChI=1S/C15H18N6O.2ClH/c16-12-2-3-13(19-11-12)10-14(22)20-6-8-21(9-7-20)15-17-4-1-5-18-15;;/h1-5,11H,6-10,16H2;2*1H
InChIKeyUXYJQPRYPZOIOX-UHFFFAOYSA-N
XLogP1.19
TPSA88.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.27
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-amino-2-pyridinyl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 120640034
2-(5-amino-2-pyridinyl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 120639325
2-(5-amino-2-pyridinyl)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 107339302
4-[2-(5-amino-2-pyridinyl)acetyl]-N,N-diethylpiperazine-1-carboxamide;hydrochloride
CID 120621767
2-(5-amino-2-pyridinyl)-1-[4-(2-nitrophenyl)piperazin-1-yl]ethanone
CID 120617310
2-(5-amino-2-pyridinyl)-1-[4-(dimethylamino)piperidin-1-yl]ethanone;dihydrochloride
CID 120647975
1-[2-(5-amino-2-pyridinyl)acetyl]piperidine-4-carboxamide
CID 107337428
2-(5-amino-2-pyridinyl)-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride
CID 120641372
4-[2-(5-amino-2-pyridinyl)acetyl]piperazin-2-one
CID 107337480
2-(5-amino-2-pyridinyl)-1-(4-methylazepan-1-yl)ethanone
CID 107338827
2-(5-amino-2-pyridinyl)-1-(3,3-dimethylpiperidin-1-yl)ethanone;hydrochloride
CID 120623771
2-(4-chlorophenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 5163593

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-pyridinyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;dihydrochloride?
The IUPAC name of 2-(5-amino-2-pyridinyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;dihydrochloride (CID 120639461) is 2-(5-amino-2-pyridinyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;dihydrochloride.
What is the SMILES notation for 2-(5-amino-2-pyridinyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;dihydrochloride?
The canonical SMILES for 2-(5-amino-2-pyridinyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;dihydrochloride is Cl.Cl.Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)nc1.
What is the InChIKey of 2-(5-amino-2-pyridinyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;dihydrochloride?
The InChIKey is UXYJQPRYPZOIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O.2ClH/c16-12-2-3-13(19-11-12)10-14(22)20-6-8-21(9-7-20)15-17-4-1-5-18-15;;/h1-5,11H,6-10,16H2;2*1H.
What are the key properties of 2-(5-amino-2-pyridinyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;dihydrochloride?
2-(5-amino-2-pyridinyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;dihydrochloride has a molecular weight of 371.27 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-pyridinyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;dihydrochloride is sourced from PubChem (CID 120639461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).