[5-ethyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-yl]hydrazine

C16H21N5 — CID 80905373

IUPAC[5-ethyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-yl]hydrazine
SMILESCCc1c(NN)ncnc1N1CCCc2ccccc2C1
InChIInChI=1S/C16H21N5/c1-2-14-15(20-17)18-11-19-16(14)21-9-5-8-12-6-3-4-7-13(12)10-21/h3-4,6-7,11H,2,5,8-10,17H2,1H3,(H,18,19,20)
InChIKeyWPXJUJQLPPADJJ-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.28
Rot. Bonds3

About [5-ethyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-yl]hydrazine

[5-ethyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-yl]hydrazine (PubChem CID 80905373) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is [5-ethyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[5-ethyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-yl]hydrazine
PubChem CID80905373
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC Name[5-ethyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-yl]hydrazine
SMILESCCc1c(NN)ncnc1N1CCCc2ccccc2C1
InChIInChI=1S/C16H21N5/c1-2-14-15(20-17)18-11-19-16(14)21-9-5-8-12-6-3-4-7-13(12)10-21/h3-4,6-7,11H,2,5,8-10,17H2,1H3,(H,18,19,20)
InChIKeyWPXJUJQLPPADJJ-UHFFFAOYSA-N
XLogP2.28
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.28
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-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methylpyrimidin-4-yl]hydrazine
CID 80928300
N,5-dimethyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-amine
CID 80830675
[5-ethyl-6-(1,4-thiazepan-4-yl)pyrimidin-4-yl]hydrazine
CID 80896615
6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-N-methylpyrimidine-4,5-diamine
CID 19135043
[5-methyl-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-2-yl]hydrazine
CID 80914707
[6-(3-ethoxypiperidin-1-yl)-5-ethylpyrimidin-4-yl]hydrazine
CID 80905523
4-chloro-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-5-amine
CID 63155391
[5-ethyl-6-(2-methylazepan-1-yl)pyrimidin-4-yl]hydrazine
CID 80911682
6-(3,4-dihydro-1H-isoquinolin-2-yl)-5-methyl-N-propylpyrimidin-4-amine
CID 80751574
5-ethyl-N-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 80763765
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N,5-dimethylpyrimidin-4-amine
CID 80767214
6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-ethyl-N-methylpyrimidin-4-amine
CID 80764105

Frequently Asked Questions

What is the IUPAC name of [5-ethyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-yl]hydrazine?
The IUPAC name of [5-ethyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-yl]hydrazine (CID 80905373) is [5-ethyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [5-ethyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-yl]hydrazine?
The canonical SMILES for [5-ethyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-yl]hydrazine is CCc1c(NN)ncnc1N1CCCc2ccccc2C1.
What is the InChIKey of [5-ethyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-yl]hydrazine?
The InChIKey is WPXJUJQLPPADJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5/c1-2-14-15(20-17)18-11-19-16(14)21-9-5-8-12-6-3-4-7-13(12)10-21/h3-4,6-7,11H,2,5,8-10,17H2,1H3,(H,18,19,20).
What are the key properties of [5-ethyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-yl]hydrazine?
[5-ethyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-yl]hydrazine has a molecular weight of 283.38 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-ethyl-6-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80905373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).