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

C10H9ClN6O3 — CID 80912253

IUPAC4-(4-chloro-2-nitrophenoxy)-6-hydrazinylpyrimidin-2-amine
SMILESNNc1cc(Oc2ccc(Cl)cc2[N+](=O)[O-])nc(N)n1
InChIInChI=1S/C10H9ClN6O3/c11-5-1-2-7(6(3-5)17(18)19)20-9-4-8(16-13)14-10(12)15-9/h1-4H,13H2,(H3,12,14,15,16)
InChIKeyGDQVLWNTVZPMMH-UHFFFAOYSA-N
MW296.67 g/mol
LogP1.70
Rot. Bonds4

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

4-(4-chloro-2-nitrophenoxy)-6-hydrazinylpyrimidin-2-amine (PubChem CID 80912253) has the molecular formula C10H9ClN6O3 and a molecular weight of 296.67 g/mol. Its IUPAC name is 4-(4-chloro-2-nitrophenoxy)-6-hydrazinylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-chloro-2-nitrophenoxy)-6-hydrazinylpyrimidin-2-amine
PubChem CID80912253
Molecular FormulaC10H9ClN6O3
Molecular Weight296.67 g/mol
Exact Mass296.04
IUPAC Name4-(4-chloro-2-nitrophenoxy)-6-hydrazinylpyrimidin-2-amine
SMILESNNc1cc(Oc2ccc(Cl)cc2[N+](=O)[O-])nc(N)n1
InChIInChI=1S/C10H9ClN6O3/c11-5-1-2-7(6(3-5)17(18)19)20-9-4-8(16-13)14-10(12)15-9/h1-4H,13H2,(H3,12,14,15,16)
InChIKeyGDQVLWNTVZPMMH-UHFFFAOYSA-N
XLogP1.70
TPSA142.22 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.67
LogP ≤ 51.70
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-(4-ethyl-2-nitrophenoxy)-6-hydrazinylpyrimidin-2-amine
CID 80925193
[4-(4-chloro-2-nitrophenoxy)pyrimidin-2-yl]hydrazine
CID 80911648
[6-(5-chloro-2-nitrophenoxy)-2-ethylpyrimidin-4-yl]hydrazine
CID 80938296
4-(5-chloro-2-methylphenoxy)-6-hydrazinylpyrimidin-2-amine
CID 80921660
4-chloro-1-(4-chloro-2-nitrophenoxy)-2-nitrobenzene
CID 57272170
4-(2-bromo-6-nitrophenoxy)-6-hydrazinylpyrimidin-2-amine
CID 81499351
6-(4-chloro-2-nitrophenoxy)-2-ethylpyrimidin-4-amine
CID 80941048
[6-(4-methoxy-2-nitrophenoxy)-2-methylpyrimidin-4-yl]hydrazine
CID 80911771
4-(2-chloro-4-methylphenoxy)-6-hydrazinylpyrimidin-2-amine
CID 80930868
3-chloro-4-(4-chloro-2-nitrophenoxy)aniline
CID 174492960
2-bromo-6-(4-chloro-2-nitrophenoxy)pyridine
CID 63961282
3-chloro-6-(4-chloro-2-nitrophenoxy)pyridine-2-carboxylic acid
CID 29033059

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-nitrophenoxy)-6-hydrazinylpyrimidin-2-amine?
The IUPAC name of 4-(4-chloro-2-nitrophenoxy)-6-hydrazinylpyrimidin-2-amine (CID 80912253) is 4-(4-chloro-2-nitrophenoxy)-6-hydrazinylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-chloro-2-nitrophenoxy)-6-hydrazinylpyrimidin-2-amine?
The canonical SMILES for 4-(4-chloro-2-nitrophenoxy)-6-hydrazinylpyrimidin-2-amine is NNc1cc(Oc2ccc(Cl)cc2[N+](=O)[O-])nc(N)n1.
What is the InChIKey of 4-(4-chloro-2-nitrophenoxy)-6-hydrazinylpyrimidin-2-amine?
The InChIKey is GDQVLWNTVZPMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN6O3/c11-5-1-2-7(6(3-5)17(18)19)20-9-4-8(16-13)14-10(12)15-9/h1-4H,13H2,(H3,12,14,15,16).
What are the key properties of 4-(4-chloro-2-nitrophenoxy)-6-hydrazinylpyrimidin-2-amine?
4-(4-chloro-2-nitrophenoxy)-6-hydrazinylpyrimidin-2-amine has a molecular weight of 296.67 g/mol, XLogP of 1.70, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-nitrophenoxy)-6-hydrazinylpyrimidin-2-amine is sourced from PubChem (CID 80912253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).