N-(2-methoxyethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine

C13H23N5O — CID 62575110

IUPACN-(2-methoxyethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine
SMILESCOCCNCCN1CCN(c2ncccn2)CC1
InChIInChI=1S/C13H23N5O/c1-19-12-6-14-5-7-17-8-10-18(11-9-17)13-15-3-2-4-16-13/h2-4,14H,5-12H2,1H3
InChIKeyQZAQDZLOCSYIBX-UHFFFAOYSA-N
MW265.36 g/mol
LogP-0.17
Rot. Bonds7

About N-(2-methoxyethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine

N-(2-methoxyethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine (PubChem CID 62575110) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine
PubChem CID62575110
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC NameN-(2-methoxyethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine
SMILESCOCCNCCN1CCN(c2ncccn2)CC1
InChIInChI=1S/C13H23N5O/c1-19-12-6-14-5-7-17-8-10-18(11-9-17)13-15-3-2-4-16-13/h2-4,14H,5-12H2,1H3
InChIKeyQZAQDZLOCSYIBX-UHFFFAOYSA-N
XLogP-0.17
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-(3-methoxypropyl)piperazin-1-yl]pyrimidine
CID 171069544
N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]prop-2-yn-1-amine
CID 62575755
N-(2-methoxyethyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butan-1-amine
CID 62569653
2-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]propan-2-amine
CID 55070558
1-(1-methoxypropan-2-yl)-2-methyl-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]guanidine
CID 111237369
1-(1-methoxypropan-2-yl)-2-methyl-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]guanidine;hydroiodide
CID 111237368
N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclopentanamine
CID 60849987
1-methoxy-N-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-amine
CID 107505301
N-(2-methoxyethyl)-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-amine
CID 62569125
1-(2-methoxyethyl)-5-oxo-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxamide
CID 131917365
2-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]pyrimidine
CID 102273193
N-propan-2-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-amine
CID 60853273

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine?
The IUPAC name of N-(2-methoxyethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine (CID 62575110) is N-(2-methoxyethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine.
What is the SMILES notation for N-(2-methoxyethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine?
The canonical SMILES for N-(2-methoxyethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine is COCCNCCN1CCN(c2ncccn2)CC1.
What is the InChIKey of N-(2-methoxyethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine?
The InChIKey is QZAQDZLOCSYIBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-19-12-6-14-5-7-17-8-10-18(11-9-17)13-15-3-2-4-16-13/h2-4,14H,5-12H2,1H3.
What are the key properties of N-(2-methoxyethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine?
N-(2-methoxyethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine has a molecular weight of 265.36 g/mol, XLogP of -0.17, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 62575110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).