[5-bromo-4-(4-ethylpiperidin-1-yl)pyrimidin-2-yl]hydrazine

C11H18BrN5 — CID 80896698

IUPAC[5-bromo-4-(4-ethylpiperidin-1-yl)pyrimidin-2-yl]hydrazine
SMILESCCC1CCN(c2nc(NN)ncc2Br)CC1
InChIInChI=1S/C11H18BrN5/c1-2-8-3-5-17(6-4-8)10-9(12)7-14-11(15-10)16-13/h7-8H,2-6,13H2,1H3,(H,14,15,16)
InChIKeyMEQWVNLPCUPTKZ-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.15
Rot. Bonds3

About [5-bromo-4-(4-ethylpiperidin-1-yl)pyrimidin-2-yl]hydrazine

[5-bromo-4-(4-ethylpiperidin-1-yl)pyrimidin-2-yl]hydrazine (PubChem CID 80896698) has the molecular formula C11H18BrN5 and a molecular weight of 300.20 g/mol. Its IUPAC name is [5-bromo-4-(4-ethylpiperidin-1-yl)pyrimidin-2-yl]hydrazine.

Molecular Properties

Compound Name[5-bromo-4-(4-ethylpiperidin-1-yl)pyrimidin-2-yl]hydrazine
PubChem CID80896698
Molecular FormulaC11H18BrN5
Molecular Weight300.20 g/mol
Exact Mass299.07
IUPAC Name[5-bromo-4-(4-ethylpiperidin-1-yl)pyrimidin-2-yl]hydrazine
SMILESCCC1CCN(c2nc(NN)ncc2Br)CC1
InChIInChI=1S/C11H18BrN5/c1-2-8-3-5-17(6-4-8)10-9(12)7-14-11(15-10)16-13/h7-8H,2-6,13H2,1H3,(H,14,15,16)
InChIKeyMEQWVNLPCUPTKZ-UHFFFAOYSA-N
XLogP2.15
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.15
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

[5-bromo-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-yl]hydrazine
CID 80917706
5-bromo-N-ethyl-4-(4-ethylazepan-1-yl)pyrimidin-2-amine
CID 80837449
[5-bromo-4-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]hydrazine
CID 80928369
[5-bromo-4-(4-propan-2-ylazepan-1-yl)pyrimidin-2-yl]hydrazine
CID 80917725
[5-bromo-4-(3,5-dimethylpiperidin-1-yl)pyrimidin-2-yl]hydrazine
CID 80928074
[5-fluoro-4-(4-propylazepan-1-yl)pyrimidin-2-yl]hydrazine
CID 80917723
5-bromo-N-ethyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine
CID 80844726
[5-bromo-4-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-2-yl]hydrazine
CID 80925546
5-bromo-N-ethyl-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 80767151
5-bromo-2-hydrazinyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine
CID 80914649
[1-(2-amino-5-bromopyrimidin-4-yl)piperidin-4-yl]methanol
CID 80756578
N-ethyl-4-(4-ethylazepan-1-yl)-5-methylpyrimidin-2-amine
CID 80837924

Frequently Asked Questions

What is the IUPAC name of [5-bromo-4-(4-ethylpiperidin-1-yl)pyrimidin-2-yl]hydrazine?
The IUPAC name of [5-bromo-4-(4-ethylpiperidin-1-yl)pyrimidin-2-yl]hydrazine (CID 80896698) is [5-bromo-4-(4-ethylpiperidin-1-yl)pyrimidin-2-yl]hydrazine.
What is the SMILES notation for [5-bromo-4-(4-ethylpiperidin-1-yl)pyrimidin-2-yl]hydrazine?
The canonical SMILES for [5-bromo-4-(4-ethylpiperidin-1-yl)pyrimidin-2-yl]hydrazine is CCC1CCN(c2nc(NN)ncc2Br)CC1.
What is the InChIKey of [5-bromo-4-(4-ethylpiperidin-1-yl)pyrimidin-2-yl]hydrazine?
The InChIKey is MEQWVNLPCUPTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN5/c1-2-8-3-5-17(6-4-8)10-9(12)7-14-11(15-10)16-13/h7-8H,2-6,13H2,1H3,(H,14,15,16).
What are the key properties of [5-bromo-4-(4-ethylpiperidin-1-yl)pyrimidin-2-yl]hydrazine?
[5-bromo-4-(4-ethylpiperidin-1-yl)pyrimidin-2-yl]hydrazine has a molecular weight of 300.20 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-4-(4-ethylpiperidin-1-yl)pyrimidin-2-yl]hydrazine is sourced from PubChem (CID 80896698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).