[6-(2-azabicyclo[2.2.1]heptan-2-yl)-5-ethylpyrimidin-4-yl]hydrazine

C12H19N5 — CID 80905027

IUPAC[6-(2-azabicyclo[2.2.1]heptan-2-yl)-5-ethylpyrimidin-4-yl]hydrazine
SMILESCCc1c(NN)ncnc1N1CC2CCC1C2
InChIInChI=1S/C12H19N5/c1-2-10-11(16-13)14-7-15-12(10)17-6-8-3-4-9(17)5-8/h7-9H,2-6,13H2,1H3,(H,14,15,16)
InChIKeyURMRDWOXZGXADK-UHFFFAOYSA-N
MW233.32 g/mol
LogP1.31
Rot. Bonds3

About [6-(2-azabicyclo[2.2.1]heptan-2-yl)-5-ethylpyrimidin-4-yl]hydrazine

[6-(2-azabicyclo[2.2.1]heptan-2-yl)-5-ethylpyrimidin-4-yl]hydrazine (PubChem CID 80905027) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is [6-(2-azabicyclo[2.2.1]heptan-2-yl)-5-ethylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(2-azabicyclo[2.2.1]heptan-2-yl)-5-ethylpyrimidin-4-yl]hydrazine
PubChem CID80905027
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name[6-(2-azabicyclo[2.2.1]heptan-2-yl)-5-ethylpyrimidin-4-yl]hydrazine
SMILESCCc1c(NN)ncnc1N1CC2CCC1C2
InChIInChI=1S/C12H19N5/c1-2-10-11(16-13)14-7-15-12(10)17-6-8-3-4-9(17)5-8/h7-9H,2-6,13H2,1H3,(H,14,15,16)
InChIKeyURMRDWOXZGXADK-UHFFFAOYSA-N
XLogP1.31
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.31
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

[6-(2,4-dimethylpiperidin-1-yl)-5-ethylpyrimidin-4-yl]hydrazine
CID 80907838
[5-ethyl-6-(2-methylazepan-1-yl)pyrimidin-4-yl]hydrazine
CID 80911682
[6-(3-ethoxypiperidin-1-yl)-5-ethylpyrimidin-4-yl]hydrazine
CID 80905523
N-cyclopropyl-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80932555
4-(2-azabicyclo[2.2.1]heptan-2-yl)-1H-pyrazolo[5,4-d]pyrimidine
CID 133269772
[6-(2,4-dimethylpiperidin-1-yl)-5-propylpyrimidin-4-yl]hydrazine
CID 80908662
[6-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-5-propylpyrimidin-4-yl]hydrazine
CID 80904341
[5-ethyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-yl]hydrazine
CID 80905373
N-(2-cyclopropylethyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80924360
[5-ethyl-6-(1,4-thiazepan-4-yl)pyrimidin-4-yl]hydrazine
CID 80896615
[5-ethyl-6-(3-methylpyrazol-1-yl)pyrimidin-4-yl]hydrazine
CID 80903601
[4-(5-ethyl-6-hydrazinylpyrimidin-4-yl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114782771

Frequently Asked Questions

What is the IUPAC name of [6-(2-azabicyclo[2.2.1]heptan-2-yl)-5-ethylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(2-azabicyclo[2.2.1]heptan-2-yl)-5-ethylpyrimidin-4-yl]hydrazine (CID 80905027) is [6-(2-azabicyclo[2.2.1]heptan-2-yl)-5-ethylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(2-azabicyclo[2.2.1]heptan-2-yl)-5-ethylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(2-azabicyclo[2.2.1]heptan-2-yl)-5-ethylpyrimidin-4-yl]hydrazine is CCc1c(NN)ncnc1N1CC2CCC1C2.
What is the InChIKey of [6-(2-azabicyclo[2.2.1]heptan-2-yl)-5-ethylpyrimidin-4-yl]hydrazine?
The InChIKey is URMRDWOXZGXADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-2-10-11(16-13)14-7-15-12(10)17-6-8-3-4-9(17)5-8/h7-9H,2-6,13H2,1H3,(H,14,15,16).
What are the key properties of [6-(2-azabicyclo[2.2.1]heptan-2-yl)-5-ethylpyrimidin-4-yl]hydrazine?
[6-(2-azabicyclo[2.2.1]heptan-2-yl)-5-ethylpyrimidin-4-yl]hydrazine has a molecular weight of 233.32 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-azabicyclo[2.2.1]heptan-2-yl)-5-ethylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80905027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).