4-chloro-2-(2-methylpyrimidin-4-yl)oxyaniline

C11H10ClN3O — CID 62770590

IUPAC4-chloro-2-(2-methylpyrimidin-4-yl)oxyaniline
SMILESCc1nccc(Oc2cc(Cl)ccc2N)n1
InChIInChI=1S/C11H10ClN3O/c1-7-14-5-4-11(15-7)16-10-6-8(12)2-3-9(10)13/h2-6H,13H2,1H3
InChIKeyVSJTXCWPJDKMQE-UHFFFAOYSA-N
MW235.67 g/mol
LogP2.81
Rot. Bonds2

About 4-chloro-2-(2-methylpyrimidin-4-yl)oxyaniline

4-chloro-2-(2-methylpyrimidin-4-yl)oxyaniline (PubChem CID 62770590) has the molecular formula C11H10ClN3O and a molecular weight of 235.67 g/mol. Its IUPAC name is 4-chloro-2-(2-methylpyrimidin-4-yl)oxyaniline.

Molecular Properties

Compound Name4-chloro-2-(2-methylpyrimidin-4-yl)oxyaniline
PubChem CID62770590
Molecular FormulaC11H10ClN3O
Molecular Weight235.67 g/mol
Exact Mass235.05
IUPAC Name4-chloro-2-(2-methylpyrimidin-4-yl)oxyaniline
SMILESCc1nccc(Oc2cc(Cl)ccc2N)n1
InChIInChI=1S/C11H10ClN3O/c1-7-14-5-4-11(15-7)16-10-6-8(12)2-3-9(10)13/h2-6H,13H2,1H3
InChIKeyVSJTXCWPJDKMQE-UHFFFAOYSA-N
XLogP2.81
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-methylpyrimidin-4-yl)oxyaniline?
The IUPAC name of 4-chloro-2-(2-methylpyrimidin-4-yl)oxyaniline (CID 62770590) is 4-chloro-2-(2-methylpyrimidin-4-yl)oxyaniline.
What is the SMILES notation for 4-chloro-2-(2-methylpyrimidin-4-yl)oxyaniline?
The canonical SMILES for 4-chloro-2-(2-methylpyrimidin-4-yl)oxyaniline is Cc1nccc(Oc2cc(Cl)ccc2N)n1.
What is the InChIKey of 4-chloro-2-(2-methylpyrimidin-4-yl)oxyaniline?
The InChIKey is VSJTXCWPJDKMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O/c1-7-14-5-4-11(15-7)16-10-6-8(12)2-3-9(10)13/h2-6H,13H2,1H3.
What are the key properties of 4-chloro-2-(2-methylpyrimidin-4-yl)oxyaniline?
4-chloro-2-(2-methylpyrimidin-4-yl)oxyaniline has a molecular weight of 235.67 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-methylpyrimidin-4-yl)oxyaniline is sourced from PubChem (CID 62770590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).