[6-(3-ethoxypiperidin-1-yl)-2,5-dimethylpyrimidin-4-yl]hydrazine

C13H23N5O — CID 80905049

IUPAC[6-(3-ethoxypiperidin-1-yl)-2,5-dimethylpyrimidin-4-yl]hydrazine
SMILESCCOC1CCCN(c2nc(C)nc(NN)c2C)C1
InChIInChI=1S/C13H23N5O/c1-4-19-11-6-5-7-18(8-11)13-9(2)12(17-14)15-10(3)16-13/h11H,4-8,14H2,1-3H3,(H,15,16,17)
InChIKeyVPUQCETVLSTNQB-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.38
Rot. Bonds4

About [6-(3-ethoxypiperidin-1-yl)-2,5-dimethylpyrimidin-4-yl]hydrazine

[6-(3-ethoxypiperidin-1-yl)-2,5-dimethylpyrimidin-4-yl]hydrazine (PubChem CID 80905049) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is [6-(3-ethoxypiperidin-1-yl)-2,5-dimethylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(3-ethoxypiperidin-1-yl)-2,5-dimethylpyrimidin-4-yl]hydrazine
PubChem CID80905049
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name[6-(3-ethoxypiperidin-1-yl)-2,5-dimethylpyrimidin-4-yl]hydrazine
SMILESCCOC1CCCN(c2nc(C)nc(NN)c2C)C1
InChIInChI=1S/C13H23N5O/c1-4-19-11-6-5-7-18(8-11)13-9(2)12(17-14)15-10(3)16-13/h11H,4-8,14H2,1-3H3,(H,15,16,17)
InChIKeyVPUQCETVLSTNQB-UHFFFAOYSA-N
XLogP1.38
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2,5-dimethyl-6-(3-propoxypiperidin-1-yl)pyrimidin-4-amine
CID 80784750
[6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2,5-dimethylpyrimidin-4-yl]hydrazine
CID 80914467
[6-(3-ethoxypiperidin-1-yl)-5-ethylpyrimidin-4-yl]hydrazine
CID 80905523
[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,5-dimethylpyrimidin-4-yl]hydrazine
CID 80928966
[6-(3-ethyl-4-methylpiperazin-1-yl)-2,5-dimethylpyrimidin-4-yl]hydrazine
CID 80909718
[2,5-dimethyl-6-(2-methyl-1,4-oxazepan-4-yl)pyrimidin-4-yl]hydrazine
CID 80919581
1-(2-ethyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-N,N-dimethylpiperidin-3-amine
CID 81006239
[6-(3-ethoxypiperidin-1-yl)pyrimidin-4-yl]hydrazine
CID 80905232
1-[2,5-dimethyl-6-(propylamino)pyrimidin-4-yl]piperidin-3-ol
CID 80779109
[3-(3-ethoxypiperidin-1-yl)pyrazin-2-yl]methanamine
CID 62673049
[6-(2-ethylazepan-1-yl)-2,5-dimethylpyrimidin-4-yl]hydrazine
CID 113442067
5-(3-ethoxypiperidin-1-yl)-4-methyl-1,2-thiazol-3-amine
CID 103361875

Frequently Asked Questions

What is the IUPAC name of [6-(3-ethoxypiperidin-1-yl)-2,5-dimethylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(3-ethoxypiperidin-1-yl)-2,5-dimethylpyrimidin-4-yl]hydrazine (CID 80905049) is [6-(3-ethoxypiperidin-1-yl)-2,5-dimethylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(3-ethoxypiperidin-1-yl)-2,5-dimethylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(3-ethoxypiperidin-1-yl)-2,5-dimethylpyrimidin-4-yl]hydrazine is CCOC1CCCN(c2nc(C)nc(NN)c2C)C1.
What is the InChIKey of [6-(3-ethoxypiperidin-1-yl)-2,5-dimethylpyrimidin-4-yl]hydrazine?
The InChIKey is VPUQCETVLSTNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-4-19-11-6-5-7-18(8-11)13-9(2)12(17-14)15-10(3)16-13/h11H,4-8,14H2,1-3H3,(H,15,16,17).
What are the key properties of [6-(3-ethoxypiperidin-1-yl)-2,5-dimethylpyrimidin-4-yl]hydrazine?
[6-(3-ethoxypiperidin-1-yl)-2,5-dimethylpyrimidin-4-yl]hydrazine has a molecular weight of 265.36 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-ethoxypiperidin-1-yl)-2,5-dimethylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80905049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).