[5-bromo-4-(3,5-dimethylpiperidin-1-yl)pyrimidin-2-yl]hydrazine

C11H18BrN5 — CID 80928074

IUPAC[5-bromo-4-(3,5-dimethylpiperidin-1-yl)pyrimidin-2-yl]hydrazine
SMILESCC1CC(C)CN(c2nc(NN)ncc2Br)C1
InChIInChI=1S/C11H18BrN5/c1-7-3-8(2)6-17(5-7)10-9(12)4-14-11(15-10)16-13/h4,7-8H,3,5-6,13H2,1-2H3,(H,14,15,16)
InChIKeyWVBCOHZNRGFSJG-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.01
Rot. Bonds2

About [5-bromo-4-(3,5-dimethylpiperidin-1-yl)pyrimidin-2-yl]hydrazine

[5-bromo-4-(3,5-dimethylpiperidin-1-yl)pyrimidin-2-yl]hydrazine (PubChem CID 80928074) has the molecular formula C11H18BrN5 and a molecular weight of 300.20 g/mol. Its IUPAC name is [5-bromo-4-(3,5-dimethylpiperidin-1-yl)pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[5-bromo-4-(3,5-dimethylpiperidin-1-yl)pyrimidin-2-yl]hydrazine
PubChem CID80928074
Molecular FormulaC11H18BrN5
Molecular Weight300.20 g/mol
Exact Mass299.07
IUPAC Name[5-bromo-4-(3,5-dimethylpiperidin-1-yl)pyrimidin-2-yl]hydrazine
SMILESCC1CC(C)CN(c2nc(NN)ncc2Br)C1
InChIInChI=1S/C11H18BrN5/c1-7-3-8(2)6-17(5-7)10-9(12)4-14-11(15-10)16-13/h4,7-8H,3,5-6,13H2,1-2H3,(H,14,15,16)
InChIKeyWVBCOHZNRGFSJG-UHFFFAOYSA-N
XLogP2.01
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.01
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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Frequently Asked Questions

What is the IUPAC name of [5-bromo-4-(3,5-dimethylpiperidin-1-yl)pyrimidin-2-yl]hydrazine?
The IUPAC name of [5-bromo-4-(3,5-dimethylpiperidin-1-yl)pyrimidin-2-yl]hydrazine (CID 80928074) is [5-bromo-4-(3,5-dimethylpiperidin-1-yl)pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [5-bromo-4-(3,5-dimethylpiperidin-1-yl)pyrimidin-2-yl]hydrazine?
The canonical SMILES for [5-bromo-4-(3,5-dimethylpiperidin-1-yl)pyrimidin-2-yl]hydrazine is CC1CC(C)CN(c2nc(NN)ncc2Br)C1.
What is the InChIKey of [5-bromo-4-(3,5-dimethylpiperidin-1-yl)pyrimidin-2-yl]hydrazine?
The InChIKey is WVBCOHZNRGFSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN5/c1-7-3-8(2)6-17(5-7)10-9(12)4-14-11(15-10)16-13/h4,7-8H,3,5-6,13H2,1-2H3,(H,14,15,16).
What are the key properties of [5-bromo-4-(3,5-dimethylpiperidin-1-yl)pyrimidin-2-yl]hydrazine?
[5-bromo-4-(3,5-dimethylpiperidin-1-yl)pyrimidin-2-yl]hydrazine has a molecular weight of 300.20 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-4-(3,5-dimethylpiperidin-1-yl)pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 80928074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).