2-methyl-4-pyrimidin-2-yloxyaniline

C11H11N3O — CID 16776604

IUPAC2-methyl-4-pyrimidin-2-yloxyaniline
SMILESCc1cc(Oc2ncccn2)ccc1N
InChIInChI=1S/C11H11N3O/c1-8-7-9(3-4-10(8)12)15-11-13-5-2-6-14-11/h2-7H,12H2,1H3
InChIKeyXYXKJNQJZOFSQJ-UHFFFAOYSA-N
MW201.23 g/mol
LogP2.16
Rot. Bonds2

About 2-methyl-4-pyrimidin-2-yloxyaniline

2-methyl-4-pyrimidin-2-yloxyaniline (PubChem CID 16776604) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 2-methyl-4-pyrimidin-2-yloxyaniline.

Molecular Properties

Compound Name2-methyl-4-pyrimidin-2-yloxyaniline
PubChem CID16776604
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name2-methyl-4-pyrimidin-2-yloxyaniline
SMILESCc1cc(Oc2ncccn2)ccc1N
InChIInChI=1S/C11H11N3O/c1-8-7-9(3-4-10(8)12)15-11-13-5-2-6-14-11/h2-7H,12H2,1H3
InChIKeyXYXKJNQJZOFSQJ-UHFFFAOYSA-N
XLogP2.16
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 52.16
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 2-methyl-4-pyrimidin-2-yloxyaniline?
The IUPAC name of 2-methyl-4-pyrimidin-2-yloxyaniline (CID 16776604) is 2-methyl-4-pyrimidin-2-yloxyaniline.
What is the SMILES notation for 2-methyl-4-pyrimidin-2-yloxyaniline?
The canonical SMILES for 2-methyl-4-pyrimidin-2-yloxyaniline is Cc1cc(Oc2ncccn2)ccc1N.
What is the InChIKey of 2-methyl-4-pyrimidin-2-yloxyaniline?
The InChIKey is XYXKJNQJZOFSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-8-7-9(3-4-10(8)12)15-11-13-5-2-6-14-11/h2-7H,12H2,1H3.
What are the key properties of 2-methyl-4-pyrimidin-2-yloxyaniline?
2-methyl-4-pyrimidin-2-yloxyaniline has a molecular weight of 201.23 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-pyrimidin-2-yloxyaniline is sourced from PubChem (CID 16776604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).