[6-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2,5-dimethylpyrimidin-4-yl]hydrazine

C15H19N5O — CID 80907415

IUPAC[6-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2,5-dimethylpyrimidin-4-yl]hydrazine
SMILESCc1nc(NN)c(C)c(N2CCOc3ccccc3C2)n1
InChIInChI=1S/C15H19N5O/c1-10-14(19-16)17-11(2)18-15(10)20-7-8-21-13-6-4-3-5-12(13)9-20/h3-6H,7-9,16H2,1-2H3,(H,17,18,19)
InChIKeyFGWSQXOATGJBGI-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.78
Rot. Bonds2

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

[6-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2,5-dimethylpyrimidin-4-yl]hydrazine (PubChem CID 80907415) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is [6-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2,5-dimethylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2,5-dimethylpyrimidin-4-yl]hydrazine
PubChem CID80907415
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name[6-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2,5-dimethylpyrimidin-4-yl]hydrazine
SMILESCc1nc(NN)c(C)c(N2CCOc3ccccc3C2)n1
InChIInChI=1S/C15H19N5O/c1-10-14(19-16)17-11(2)18-15(10)20-7-8-21-13-6-4-3-5-12(13)9-20/h3-6H,7-9,16H2,1-2H3,(H,17,18,19)
InChIKeyFGWSQXOATGJBGI-UHFFFAOYSA-N
XLogP1.78
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.78
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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Frequently Asked Questions

What is the IUPAC name of [6-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2,5-dimethylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2,5-dimethylpyrimidin-4-yl]hydrazine (CID 80907415) is [6-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2,5-dimethylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2,5-dimethylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2,5-dimethylpyrimidin-4-yl]hydrazine is Cc1nc(NN)c(C)c(N2CCOc3ccccc3C2)n1.
What is the InChIKey of [6-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2,5-dimethylpyrimidin-4-yl]hydrazine?
The InChIKey is FGWSQXOATGJBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-10-14(19-16)17-11(2)18-15(10)20-7-8-21-13-6-4-3-5-12(13)9-20/h3-6H,7-9,16H2,1-2H3,(H,17,18,19).
What are the key properties of [6-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2,5-dimethylpyrimidin-4-yl]hydrazine?
[6-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2,5-dimethylpyrimidin-4-yl]hydrazine has a molecular weight of 285.35 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-2,5-dimethylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80907415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).