[5-ethyl-6-(2-methylazepan-1-yl)pyrimidin-4-yl]hydrazine

C13H23N5 — CID 80911682

IUPAC[5-ethyl-6-(2-methylazepan-1-yl)pyrimidin-4-yl]hydrazine
SMILESCCc1c(NN)ncnc1N1CCCCCC1C
InChIInChI=1S/C13H23N5/c1-3-11-12(17-14)15-9-16-13(11)18-8-6-4-5-7-10(18)2/h9-10H,3-8,14H2,1-2H3,(H,15,16,17)
InChIKeyVACNDIVBXQNROP-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.09
Rot. Bonds3

About [5-ethyl-6-(2-methylazepan-1-yl)pyrimidin-4-yl]hydrazine

[5-ethyl-6-(2-methylazepan-1-yl)pyrimidin-4-yl]hydrazine (PubChem CID 80911682) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is [5-ethyl-6-(2-methylazepan-1-yl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[5-ethyl-6-(2-methylazepan-1-yl)pyrimidin-4-yl]hydrazine
PubChem CID80911682
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name[5-ethyl-6-(2-methylazepan-1-yl)pyrimidin-4-yl]hydrazine
SMILESCCc1c(NN)ncnc1N1CCCCCC1C
InChIInChI=1S/C13H23N5/c1-3-11-12(17-14)15-9-16-13(11)18-8-6-4-5-7-10(18)2/h9-10H,3-8,14H2,1-2H3,(H,15,16,17)
InChIKeyVACNDIVBXQNROP-UHFFFAOYSA-N
XLogP2.09
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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,5-diethyl-6-(2-methylpiperidin-1-yl)pyrimidin-4-amine
CID 80767407
[6-(2,4-dimethylpiperidin-1-yl)-5-ethylpyrimidin-4-yl]hydrazine
CID 80907838
N-ethyl-6-(2-methylpiperidin-1-yl)-5-propylpyrimidin-4-amine
CID 80767567
6-(2-methylpiperidin-1-yl)-N,5-dipropylpyrimidin-4-amine
CID 80766937
N-ethyl-5-methyl-6-(2-methylpiperidin-1-yl)pyrimidin-4-amine
CID 80767326
[6-(2-azabicyclo[2.2.1]heptan-2-yl)-5-ethylpyrimidin-4-yl]hydrazine
CID 80905027
[6-(2,4-dimethylpiperidin-1-yl)-5-propylpyrimidin-4-yl]hydrazine
CID 80908662
5-methyl-6-(2-methylpiperidin-1-yl)-N-propylpyrimidin-4-amine
CID 80766852
6-(2,3-dimethylpiperidin-1-yl)-5-ethyl-N-propylpyrimidin-4-amine
CID 80822466
6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N,5-diethylpyrimidin-4-amine
CID 80825609
[6-(3-methylmorpholin-4-yl)-5-propylpyrimidin-4-yl]hydrazine
CID 80906348
[6-(3-ethoxypiperidin-1-yl)-5-ethylpyrimidin-4-yl]hydrazine
CID 80905523

Frequently Asked Questions

What is the IUPAC name of [5-ethyl-6-(2-methylazepan-1-yl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [5-ethyl-6-(2-methylazepan-1-yl)pyrimidin-4-yl]hydrazine (CID 80911682) is [5-ethyl-6-(2-methylazepan-1-yl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [5-ethyl-6-(2-methylazepan-1-yl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [5-ethyl-6-(2-methylazepan-1-yl)pyrimidin-4-yl]hydrazine is CCc1c(NN)ncnc1N1CCCCCC1C.
What is the InChIKey of [5-ethyl-6-(2-methylazepan-1-yl)pyrimidin-4-yl]hydrazine?
The InChIKey is VACNDIVBXQNROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-3-11-12(17-14)15-9-16-13(11)18-8-6-4-5-7-10(18)2/h9-10H,3-8,14H2,1-2H3,(H,15,16,17).
What are the key properties of [5-ethyl-6-(2-methylazepan-1-yl)pyrimidin-4-yl]hydrazine?
[5-ethyl-6-(2-methylazepan-1-yl)pyrimidin-4-yl]hydrazine has a molecular weight of 249.36 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-ethyl-6-(2-methylazepan-1-yl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80911682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).