4-(2-bromo-6-nitrophenoxy)-6-hydrazinylpyrimidin-2-amine

C10H9BrN6O3 — CID 81499351

IUPAC4-(2-bromo-6-nitrophenoxy)-6-hydrazinylpyrimidin-2-amine
SMILESNNc1cc(Oc2c(Br)cccc2[N+](=O)[O-])nc(N)n1
InChIInChI=1S/C10H9BrN6O3/c11-5-2-1-3-6(17(18)19)9(5)20-8-4-7(16-13)14-10(12)15-8/h1-4H,13H2,(H3,12,14,15,16)
InChIKeyLZQJYGFHOBNIHC-UHFFFAOYSA-N
MW341.13 g/mol
LogP1.81
Rot. Bonds4

About 4-(2-bromo-6-nitrophenoxy)-6-hydrazinylpyrimidin-2-amine

4-(2-bromo-6-nitrophenoxy)-6-hydrazinylpyrimidin-2-amine (PubChem CID 81499351) has the molecular formula C10H9BrN6O3 and a molecular weight of 341.13 g/mol. Its IUPAC name is 4-(2-bromo-6-nitrophenoxy)-6-hydrazinylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-bromo-6-nitrophenoxy)-6-hydrazinylpyrimidin-2-amine
PubChem CID81499351
Molecular FormulaC10H9BrN6O3
Molecular Weight341.13 g/mol
Exact Mass339.99
IUPAC Name4-(2-bromo-6-nitrophenoxy)-6-hydrazinylpyrimidin-2-amine
SMILESNNc1cc(Oc2c(Br)cccc2[N+](=O)[O-])nc(N)n1
InChIInChI=1S/C10H9BrN6O3/c11-5-2-1-3-6(17(18)19)9(5)20-8-4-7(16-13)14-10(12)15-8/h1-4H,13H2,(H3,12,14,15,16)
InChIKeyLZQJYGFHOBNIHC-UHFFFAOYSA-N
XLogP1.81
TPSA142.22 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.13
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[4-(2-bromo-6-nitrophenoxy)pyrimidin-2-yl]hydrazine
CID 81499626
4-(4-chloro-2-nitrophenoxy)-6-hydrazinylpyrimidin-2-amine
CID 80912253
4-(4-ethyl-2-nitrophenoxy)-6-hydrazinylpyrimidin-2-amine
CID 80925193
[4-(2-bromo-6-nitrophenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 81496900
4-(3-bromophenoxy)-6-hydrazinylpyrimidin-2-amine
CID 80915072
4-hydrazinyl-6-naphthalen-1-yloxypyrimidin-2-amine
CID 80916183
3-(2-bromo-6-nitrophenoxy)-5-nitroaniline
CID 81496661
[6-(2-bromo-6-nitrophenoxy)-3-pyridinyl]methanol
CID 81499821
4-(1-bromonaphthalen-2-yl)oxy-6-hydrazinylpyrimidin-2-amine
CID 80909311
6-(2-nitrophenoxy)pyrimidine-2,4-diamine
CID 80875321
[6-(3-bromophenoxy)-4-nitro-2-pyridinyl]hydrazine
CID 114071582
2-(2-bromo-6-nitrophenoxy)-5-chloropyridine-4-carboxylic acid
CID 114916966

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-6-nitrophenoxy)-6-hydrazinylpyrimidin-2-amine?
The IUPAC name of 4-(2-bromo-6-nitrophenoxy)-6-hydrazinylpyrimidin-2-amine (CID 81499351) is 4-(2-bromo-6-nitrophenoxy)-6-hydrazinylpyrimidin-2-amine.
What is the SMILES notation for 4-(2-bromo-6-nitrophenoxy)-6-hydrazinylpyrimidin-2-amine?
The canonical SMILES for 4-(2-bromo-6-nitrophenoxy)-6-hydrazinylpyrimidin-2-amine is NNc1cc(Oc2c(Br)cccc2[N+](=O)[O-])nc(N)n1.
What is the InChIKey of 4-(2-bromo-6-nitrophenoxy)-6-hydrazinylpyrimidin-2-amine?
The InChIKey is LZQJYGFHOBNIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN6O3/c11-5-2-1-3-6(17(18)19)9(5)20-8-4-7(16-13)14-10(12)15-8/h1-4H,13H2,(H3,12,14,15,16).
What are the key properties of 4-(2-bromo-6-nitrophenoxy)-6-hydrazinylpyrimidin-2-amine?
4-(2-bromo-6-nitrophenoxy)-6-hydrazinylpyrimidin-2-amine has a molecular weight of 341.13 g/mol, XLogP of 1.81, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-6-nitrophenoxy)-6-hydrazinylpyrimidin-2-amine is sourced from PubChem (CID 81499351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).