[6-(4-ethoxypiperidin-1-yl)-5-methylpyrimidin-4-yl]hydrazine

C12H21N5O — CID 80898594

IUPAC[6-(4-ethoxypiperidin-1-yl)-5-methylpyrimidin-4-yl]hydrazine
SMILESCCOC1CCN(c2ncnc(NN)c2C)CC1
InChIInChI=1S/C12H21N5O/c1-3-18-10-4-6-17(7-5-10)12-9(2)11(16-13)14-8-15-12/h8,10H,3-7,13H2,1-2H3,(H,14,15,16)
InChIKeyPDIUTBVDTGFLHC-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.08
Rot. Bonds4

About [6-(4-ethoxypiperidin-1-yl)-5-methylpyrimidin-4-yl]hydrazine

[6-(4-ethoxypiperidin-1-yl)-5-methylpyrimidin-4-yl]hydrazine (PubChem CID 80898594) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is [6-(4-ethoxypiperidin-1-yl)-5-methylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(4-ethoxypiperidin-1-yl)-5-methylpyrimidin-4-yl]hydrazine
PubChem CID80898594
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name[6-(4-ethoxypiperidin-1-yl)-5-methylpyrimidin-4-yl]hydrazine
SMILESCCOC1CCN(c2ncnc(NN)c2C)CC1
InChIInChI=1S/C12H21N5O/c1-3-18-10-4-6-17(7-5-10)12-9(2)11(16-13)14-8-15-12/h8,10H,3-7,13H2,1-2H3,(H,14,15,16)
InChIKeyPDIUTBVDTGFLHC-UHFFFAOYSA-N
XLogP1.08
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.08
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

2-[1-[5-methyl-6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]oxyethanol
CID 82689461
[6-(4-methoxypiperidin-1-yl)-5-propylpyrimidin-4-yl]hydrazine
CID 80894834
[6-(3-ethoxypiperidin-1-yl)-5-ethylpyrimidin-4-yl]hydrazine
CID 80905523
[5-methyl-6-(4-methyl-1,4-diazepan-1-yl)pyrimidin-4-yl]hydrazine
CID 80931874
[6-(3-azaspiro[5.5]undecan-3-yl)-5-methylpyrimidin-4-yl]hydrazine
CID 80919022
ethyl 4-(4-ethoxypiperidin-1-yl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 133271332
4-chloro-6-(4-ethoxypiperidin-1-yl)-5-propylpyrimidine
CID 63729272
[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-methylpyrimidin-4-yl]hydrazine
CID 104961881
2-[1-(6-hydrazinyl-5-methylpyrimidin-4-yl)piperidin-3-yl]ethanol
CID 107229347
2-[1-(6-hydrazinyl-5-nitropyrimidin-4-yl)piperidin-4-yl]oxyethanol
CID 82688318
[3-[(4-ethoxypiperidin-1-yl)methyl]-2-pyridinyl]hydrazine
CID 62470788
[6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methylpyrimidin-4-yl]hydrazine
CID 80928300

Frequently Asked Questions

What is the IUPAC name of [6-(4-ethoxypiperidin-1-yl)-5-methylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(4-ethoxypiperidin-1-yl)-5-methylpyrimidin-4-yl]hydrazine (CID 80898594) is [6-(4-ethoxypiperidin-1-yl)-5-methylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(4-ethoxypiperidin-1-yl)-5-methylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(4-ethoxypiperidin-1-yl)-5-methylpyrimidin-4-yl]hydrazine is CCOC1CCN(c2ncnc(NN)c2C)CC1.
What is the InChIKey of [6-(4-ethoxypiperidin-1-yl)-5-methylpyrimidin-4-yl]hydrazine?
The InChIKey is PDIUTBVDTGFLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-3-18-10-4-6-17(7-5-10)12-9(2)11(16-13)14-8-15-12/h8,10H,3-7,13H2,1-2H3,(H,14,15,16).
What are the key properties of [6-(4-ethoxypiperidin-1-yl)-5-methylpyrimidin-4-yl]hydrazine?
[6-(4-ethoxypiperidin-1-yl)-5-methylpyrimidin-4-yl]hydrazine has a molecular weight of 251.33 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-ethoxypiperidin-1-yl)-5-methylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80898594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).