4,5-dichloro-2-(5-chloropyrimidin-2-yl)oxyaniline

C10H6Cl3N3O — CID 107501129

IUPAC4,5-dichloro-2-(5-chloropyrimidin-2-yl)oxyaniline
SMILESNc1cc(Cl)c(Cl)cc1Oc1ncc(Cl)cn1
InChIInChI=1S/C10H6Cl3N3O/c11-5-3-15-10(16-4-5)17-9-2-7(13)6(12)1-8(9)14/h1-4H,14H2
InChIKeyUPGAFJFTDZYWSY-UHFFFAOYSA-N
MW290.54 g/mol
LogP3.81
Rot. Bonds2

About 4,5-dichloro-2-(5-chloropyrimidin-2-yl)oxyaniline

4,5-dichloro-2-(5-chloropyrimidin-2-yl)oxyaniline (PubChem CID 107501129) has the molecular formula C10H6Cl3N3O and a molecular weight of 290.54 g/mol. Its IUPAC name is 4,5-dichloro-2-(5-chloropyrimidin-2-yl)oxyaniline.

Molecular Properties

Compound Name4,5-dichloro-2-(5-chloropyrimidin-2-yl)oxyaniline
PubChem CID107501129
Molecular FormulaC10H6Cl3N3O
Molecular Weight290.54 g/mol
Exact Mass288.96
IUPAC Name4,5-dichloro-2-(5-chloropyrimidin-2-yl)oxyaniline
SMILESNc1cc(Cl)c(Cl)cc1Oc1ncc(Cl)cn1
InChIInChI=1S/C10H6Cl3N3O/c11-5-3-15-10(16-4-5)17-9-2-7(13)6(12)1-8(9)14/h1-4H,14H2
InChIKeyUPGAFJFTDZYWSY-UHFFFAOYSA-N
XLogP3.81
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.54
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-(5-chloropyrimidin-2-yl)oxypyrimidine
CID 168863078
4,5-dichloro-2-(1,3,4-thiadiazol-2-yloxy)aniline
CID 107501029
4,5-dichloro-2-pyridin-2-yloxyaniline
CID 107501007
5-(5-chloropyrimidin-2-yl)oxyquinolin-8-amine
CID 116525568
4,5-dichloro-2-(2-methylpyrimidin-4-yl)oxyaniline
CID 107500964
2-(5-bromoisoquinolin-1-yl)oxy-4,5-dichloroaniline
CID 107501100
5-chloro-2-(2-iodophenoxy)pyrimidine
CID 79556845
3-(2-amino-4,5-dichlorophenoxy)-1-propan-2-ylpyrazin-2-one
CID 107500907
2-(4-bromo-2-chlorophenoxy)pyrimidin-5-amine
CID 61145640
4-chloro-3-(5-fluoropyrimidin-2-yl)oxyaniline
CID 104606271
4-(4-amino-2,5-dichlorophenoxy)-2,5-dichloroaniline
CID 20555108
(2-amino-4,5-dichlorophenyl) hydrogen sulfite
CID 57252176

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-(5-chloropyrimidin-2-yl)oxyaniline?
The IUPAC name of 4,5-dichloro-2-(5-chloropyrimidin-2-yl)oxyaniline (CID 107501129) is 4,5-dichloro-2-(5-chloropyrimidin-2-yl)oxyaniline.
What is the SMILES notation for 4,5-dichloro-2-(5-chloropyrimidin-2-yl)oxyaniline?
The canonical SMILES for 4,5-dichloro-2-(5-chloropyrimidin-2-yl)oxyaniline is Nc1cc(Cl)c(Cl)cc1Oc1ncc(Cl)cn1.
What is the InChIKey of 4,5-dichloro-2-(5-chloropyrimidin-2-yl)oxyaniline?
The InChIKey is UPGAFJFTDZYWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl3N3O/c11-5-3-15-10(16-4-5)17-9-2-7(13)6(12)1-8(9)14/h1-4H,14H2.
What are the key properties of 4,5-dichloro-2-(5-chloropyrimidin-2-yl)oxyaniline?
4,5-dichloro-2-(5-chloropyrimidin-2-yl)oxyaniline has a molecular weight of 290.54 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-(5-chloropyrimidin-2-yl)oxyaniline is sourced from PubChem (CID 107501129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).