4-(4-bromopyrazol-1-yl)-6-hydrazinylpyrimidin-2-amine

C7H8BrN7 — CID 80901012

IUPAC4-(4-bromopyrazol-1-yl)-6-hydrazinylpyrimidin-2-amine
SMILESNNc1cc(-n2cc(Br)cn2)nc(N)n1
InChIInChI=1S/C7H8BrN7/c8-4-2-11-15(3-4)6-1-5(14-10)12-7(9)13-6/h1-3H,10H2,(H3,9,12,13,14)
InChIKeyKCDMPRKQYMLPMG-UHFFFAOYSA-N
MW270.09 g/mol
LogP0.29
Rot. Bonds2

About 4-(4-bromopyrazol-1-yl)-6-hydrazinylpyrimidin-2-amine

4-(4-bromopyrazol-1-yl)-6-hydrazinylpyrimidin-2-amine (PubChem CID 80901012) has the molecular formula C7H8BrN7 and a molecular weight of 270.09 g/mol. Its IUPAC name is 4-(4-bromopyrazol-1-yl)-6-hydrazinylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-bromopyrazol-1-yl)-6-hydrazinylpyrimidin-2-amine
PubChem CID80901012
Molecular FormulaC7H8BrN7
Molecular Weight270.09 g/mol
Exact Mass269.00
IUPAC Name4-(4-bromopyrazol-1-yl)-6-hydrazinylpyrimidin-2-amine
SMILESNNc1cc(-n2cc(Br)cn2)nc(N)n1
InChIInChI=1S/C7H8BrN7/c8-4-2-11-15(3-4)6-1-5(14-10)12-7(9)13-6/h1-3H,10H2,(H3,9,12,13,14)
InChIKeyKCDMPRKQYMLPMG-UHFFFAOYSA-N
XLogP0.29
TPSA107.67 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.09
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

2,6-bis(4-bromopyrazol-1-yl)-4-iodopyridine
CID 102160368
[6-(4-chloropyrazol-1-yl)-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80968945
[6-(4-chloropyrazol-1-yl)-2-cyclopropylpyrimidin-4-yl]hydrazine
CID 80968944
[2-methyl-6-(4-phenylpyrazol-1-yl)pyrimidin-4-yl]hydrazine
CID 80900186
6-(4-bromopyrazol-1-yl)-2-phenylpyrimidin-4-amine
CID 112559857
4-(4-bromopyrazol-1-yl)-6-chloro-1,3,5-triazin-2-amine
CID 80852898
[2-cyclopropyl-6-(4-iodopyrazol-1-yl)pyrimidin-4-yl]hydrazine
CID 80968430
[6-(4-methylpyrazol-1-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 102721177
4-hydrazinyl-6-imidazol-1-ylpyrimidin-2-amine
CID 80900802
4-hydrazinyl-6-(4-methyl-1,4-diazepan-1-yl)pyrimidin-2-amine
CID 80932163
2-(4-bromopyrazol-1-yl)-6-methylpyridine-4-carbothioamide
CID 114768034
4-(4-bromopyrazol-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80853993

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromopyrazol-1-yl)-6-hydrazinylpyrimidin-2-amine?
The IUPAC name of 4-(4-bromopyrazol-1-yl)-6-hydrazinylpyrimidin-2-amine (CID 80901012) is 4-(4-bromopyrazol-1-yl)-6-hydrazinylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-bromopyrazol-1-yl)-6-hydrazinylpyrimidin-2-amine?
The canonical SMILES for 4-(4-bromopyrazol-1-yl)-6-hydrazinylpyrimidin-2-amine is NNc1cc(-n2cc(Br)cn2)nc(N)n1.
What is the InChIKey of 4-(4-bromopyrazol-1-yl)-6-hydrazinylpyrimidin-2-amine?
The InChIKey is KCDMPRKQYMLPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrN7/c8-4-2-11-15(3-4)6-1-5(14-10)12-7(9)13-6/h1-3H,10H2,(H3,9,12,13,14).
What are the key properties of 4-(4-bromopyrazol-1-yl)-6-hydrazinylpyrimidin-2-amine?
4-(4-bromopyrazol-1-yl)-6-hydrazinylpyrimidin-2-amine has a molecular weight of 270.09 g/mol, XLogP of 0.29, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromopyrazol-1-yl)-6-hydrazinylpyrimidin-2-amine is sourced from PubChem (CID 80901012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).