4-(5-nitropyrimidin-2-yl)oxyaniline

C10H8N4O3 — CID 61147692

IUPAC4-(5-nitropyrimidin-2-yl)oxyaniline
SMILESNc1ccc(Oc2ncc([N+](=O)[O-])cn2)cc1
InChIInChI=1S/C10H8N4O3/c11-7-1-3-9(4-2-7)17-10-12-5-8(6-13-10)14(15)16/h1-6H,11H2
InChIKeyZTEQAACEEBZVDJ-UHFFFAOYSA-N
MW232.20 g/mol
LogP1.76
Rot. Bonds3

About 4-(5-nitropyrimidin-2-yl)oxyaniline

4-(5-nitropyrimidin-2-yl)oxyaniline (PubChem CID 61147692) has the molecular formula C10H8N4O3 and a molecular weight of 232.20 g/mol. Its IUPAC name is 4-(5-nitropyrimidin-2-yl)oxyaniline.

Molecular Properties

Compound Name4-(5-nitropyrimidin-2-yl)oxyaniline
PubChem CID61147692
Molecular FormulaC10H8N4O3
Molecular Weight232.20 g/mol
Exact Mass232.06
IUPAC Name4-(5-nitropyrimidin-2-yl)oxyaniline
SMILESNc1ccc(Oc2ncc([N+](=O)[O-])cn2)cc1
InChIInChI=1S/C10H8N4O3/c11-7-1-3-9(4-2-7)17-10-12-5-8(6-13-10)14(15)16/h1-6H,11H2
InChIKeyZTEQAACEEBZVDJ-UHFFFAOYSA-N
XLogP1.76
TPSA104.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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

ethyl 4-(5-nitropyrimidin-2-yl)oxybenzoate
CID 65019585
4-(5-methylpyrimidin-2-yl)oxyaniline
CID 63208137
N-[2-(4-aminophenoxy)ethyl]-5-nitropyrimidin-2-amine
CID 63238244
2-(3-chlorophenoxy)-5-nitropyrimidine
CID 91903136
2-(3-fluorophenoxy)-5-nitropyrimidine
CID 91903137
2-(3-ethoxy-4-methylphenoxy)-5-nitropyrimidine
CID 67236723
4-(3-nitroquinolin-4-yl)oxyaniline
CID 103964824
4-(2,6-dichloro-4-nitrophenoxy)aniline
CID 106891919
5-nitro-2-[4-[4-[(5-nitro-2-pyridinyl)oxy]phenyl]phenoxy]pyridine
CID 2798975
2-chloro-5-nitropyrimidine;2-chloropyrimidin-5-amine
CID 158095022
methanamine;4-nitroaniline
CID 22708932
sodium;hydride;4-nitroaniline
CID 174897540

Frequently Asked Questions

What is the IUPAC name of 4-(5-nitropyrimidin-2-yl)oxyaniline?
The IUPAC name of 4-(5-nitropyrimidin-2-yl)oxyaniline (CID 61147692) is 4-(5-nitropyrimidin-2-yl)oxyaniline.
What is the SMILES notation for 4-(5-nitropyrimidin-2-yl)oxyaniline?
The canonical SMILES for 4-(5-nitropyrimidin-2-yl)oxyaniline is Nc1ccc(Oc2ncc([N+](=O)[O-])cn2)cc1.
What is the InChIKey of 4-(5-nitropyrimidin-2-yl)oxyaniline?
The InChIKey is ZTEQAACEEBZVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O3/c11-7-1-3-9(4-2-7)17-10-12-5-8(6-13-10)14(15)16/h1-6H,11H2.
What are the key properties of 4-(5-nitropyrimidin-2-yl)oxyaniline?
4-(5-nitropyrimidin-2-yl)oxyaniline has a molecular weight of 232.20 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-nitropyrimidin-2-yl)oxyaniline is sourced from PubChem (CID 61147692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).