2-[2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-yl]ethanamine;hydrochloride

C13H24ClN5 — CID 82022831

IUPAC2-[2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-yl]ethanamine;hydrochloride
SMILESCCN1CCN(c2nc(C)cc(CCN)n2)CC1.Cl
InChIInChI=1S/C13H23N5.ClH/c1-3-17-6-8-18(9-7-17)13-15-11(2)10-12(16-13)4-5-14;/h10H,3-9,14H2,1-2H3;1H
InChIKeyKYMRIOSANVZPNC-UHFFFAOYSA-N
MW285.82 g/mol
LogP0.85
Rot. Bonds4

About 2-[2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-yl]ethanamine;hydrochloride

2-[2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-yl]ethanamine;hydrochloride (PubChem CID 82022831) has the molecular formula C13H24ClN5 and a molecular weight of 285.82 g/mol. Its IUPAC name is 2-[2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-yl]ethanamine;hydrochloride
PubChem CID82022831
Molecular FormulaC13H24ClN5
Molecular Weight285.82 g/mol
Exact Mass285.17
IUPAC Name2-[2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-yl]ethanamine;hydrochloride
SMILESCCN1CCN(c2nc(C)cc(CCN)n2)CC1.Cl
InChIInChI=1S/C13H23N5.ClH/c1-3-17-6-8-18(9-7-17)13-15-11(2)10-12(16-13)4-5-14;/h10H,3-9,14H2,1-2H3;1H
InChIKeyKYMRIOSANVZPNC-UHFFFAOYSA-N
XLogP0.85
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)ethanamine;hydrochloride
CID 82022940
[2-(azocan-1-yl)-6-methylpyrimidin-4-yl]methanamine
CID 107541533
[6-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methanamine
CID 107541514
2-(azetidin-1-yl)-4-methyl-6-octylpyrimidine
CID 145141912
[6-methyl-2-(1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-yl]methanamine
CID 107541777
N-(3,5-dichlorophenyl)-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-amine
CID 112914456
2-(4-ethylpiperazin-1-yl)-6-methyl-N-(oxetan-3-yl)pyrimidin-4-amine
CID 118549633
4-[[3-(1-ethyl-4-methoxypiperidin-4-yl)phenyl]methyl]-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidine
CID 90699955
N-(2-ethyl-6-methylphenyl)-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-amine
CID 112914381
4-(chloromethyl)-6-methyl-2-pyrrolidin-1-ylpyrimidine
CID 62745550
N-[[6-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methyl]ethanamine
CID 55114763
2-[4-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)piperazin-1-yl]ethanamine
CID 115973290

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-yl]ethanamine;hydrochloride?
The IUPAC name of 2-[2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-yl]ethanamine;hydrochloride (CID 82022831) is 2-[2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-yl]ethanamine;hydrochloride.
What is the SMILES notation for 2-[2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-yl]ethanamine;hydrochloride?
The canonical SMILES for 2-[2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-yl]ethanamine;hydrochloride is CCN1CCN(c2nc(C)cc(CCN)n2)CC1.Cl.
What is the InChIKey of 2-[2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-yl]ethanamine;hydrochloride?
The InChIKey is KYMRIOSANVZPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5.ClH/c1-3-17-6-8-18(9-7-17)13-15-11(2)10-12(16-13)4-5-14;/h10H,3-9,14H2,1-2H3;1H.
What are the key properties of 2-[2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-yl]ethanamine;hydrochloride?
2-[2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-yl]ethanamine;hydrochloride has a molecular weight of 285.82 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-yl]ethanamine;hydrochloride is sourced from PubChem (CID 82022831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).