2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine;dihydrochloride

C10H19Cl2N5 — CID 46736988

IUPAC2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine;dihydrochloride
SMILESCl.Cl.NCCN1CCN(c2ncccn2)CC1
InChIInChI=1S/C10H17N5.2ClH/c11-2-5-14-6-8-15(9-7-14)10-12-3-1-4-13-10;;/h1,3-4H,2,5-9,11H2;2*1H
InChIKeyZITJIOAIBSBBFP-UHFFFAOYSA-N
MW280.20 g/mol
LogP0.40
Rot. Bonds3

About 2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine;dihydrochloride

2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine;dihydrochloride (PubChem CID 46736988) has the molecular formula C10H19Cl2N5 and a molecular weight of 280.20 g/mol. Its IUPAC name is 2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine;dihydrochloride.

Molecular Properties

Compound Name2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine;dihydrochloride
PubChem CID46736988
Molecular FormulaC10H19Cl2N5
Molecular Weight280.20 g/mol
Exact Mass279.10
IUPAC Name2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine;dihydrochloride
SMILESCl.Cl.NCCN1CCN(c2ncccn2)CC1
InChIInChI=1S/C10H17N5.2ClH/c11-2-5-14-6-8-15(9-7-14)10-12-3-1-4-13-10;;/h1,3-4H,2,5-9,11H2;2*1H
InChIKeyZITJIOAIBSBBFP-UHFFFAOYSA-N
XLogP0.40
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.20
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-pyridin-2-ylpiperazin-1-yl)ethanamine;tetrahydrochloride
CID 23627586
2-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]pyrimidine
CID 102273193
3-amino-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]propanamide;trihydrochloride
CID 119901328
2-[4-(3-methylpyrazin-2-yl)piperazin-1-yl]ethanamine
CID 83063868
2-methoxy-4-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine
CID 103152125
2-[4-(3-methoxypropyl)piperazin-1-yl]pyrimidine
CID 171069544
2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclopentan-1-amine
CID 79569923
3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-amine
CID 14854856
5-(4-pyrimidin-2-ylpiperazin-1-yl)pentanoic acid
CID 28972374
2-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]propan-2-amine
CID 55070558
2-(4-pyridin-4-ylpiperazin-1-yl)ethanamine
CID 18440675
N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclopentanamine
CID 60849987

Frequently Asked Questions

What is the IUPAC name of 2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine;dihydrochloride?
The IUPAC name of 2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine;dihydrochloride (CID 46736988) is 2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine;dihydrochloride.
What is the SMILES notation for 2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine;dihydrochloride?
The canonical SMILES for 2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine;dihydrochloride is Cl.Cl.NCCN1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine;dihydrochloride?
The InChIKey is ZITJIOAIBSBBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5.2ClH/c11-2-5-14-6-8-15(9-7-14)10-12-3-1-4-13-10;;/h1,3-4H,2,5-9,11H2;2*1H.
What are the key properties of 2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine;dihydrochloride?
2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine;dihydrochloride has a molecular weight of 280.20 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine;dihydrochloride is sourced from PubChem (CID 46736988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).