[6-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]hydrazine

C10H13BrN6 — CID 80900536

IUPAC[6-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]hydrazine
SMILESCc1nc(NN)cc(-n2nc(C)c(Br)c2C)n1
InChIInChI=1S/C10H13BrN6/c1-5-10(11)6(2)17(16-5)9-4-8(15-12)13-7(3)14-9/h4H,12H2,1-3H3,(H,13,14,15)
InChIKeyKEVNLTJLLKXIJO-UHFFFAOYSA-N
MW297.16 g/mol
LogP1.64
Rot. Bonds2

About [6-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]hydrazine

[6-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]hydrazine (PubChem CID 80900536) has the molecular formula C10H13BrN6 and a molecular weight of 297.16 g/mol. Its IUPAC name is [6-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]hydrazine
PubChem CID80900536
Molecular FormulaC10H13BrN6
Molecular Weight297.16 g/mol
Exact Mass296.04
IUPAC Name[6-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]hydrazine
SMILESCc1nc(NN)cc(-n2nc(C)c(Br)c2C)n1
InChIInChI=1S/C10H13BrN6/c1-5-10(11)6(2)17(16-5)9-4-8(15-12)13-7(3)14-9/h4H,12H2,1-3H3,(H,13,14,15)
InChIKeyKEVNLTJLLKXIJO-UHFFFAOYSA-N
XLogP1.64
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.16
LogP ≤ 51.64
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-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]hydrazine (CID 80900536) is [6-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]hydrazine is Cc1nc(NN)cc(-n2nc(C)c(Br)c2C)n1.
What is the InChIKey of [6-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]hydrazine?
The InChIKey is KEVNLTJLLKXIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN6/c1-5-10(11)6(2)17(16-5)9-4-8(15-12)13-7(3)14-9/h4H,12H2,1-3H3,(H,13,14,15).
What are the key properties of [6-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]hydrazine?
[6-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]hydrazine has a molecular weight of 297.16 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80900536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).