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

C11H11N3O — CID 63208137

IUPAC4-(5-methylpyrimidin-2-yl)oxyaniline
SMILESCc1cnc(Oc2ccc(N)cc2)nc1
InChIInChI=1S/C11H11N3O/c1-8-6-13-11(14-7-8)15-10-4-2-9(12)3-5-10/h2-7H,12H2,1H3
InChIKeyJJTBSYBEOYVMGF-UHFFFAOYSA-N
MW201.23 g/mol
LogP2.16
Rot. Bonds2

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

4-(5-methylpyrimidin-2-yl)oxyaniline (PubChem CID 63208137) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 4-(5-methylpyrimidin-2-yl)oxyaniline.

Molecular Properties

Compound Name4-(5-methylpyrimidin-2-yl)oxyaniline
PubChem CID63208137
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name4-(5-methylpyrimidin-2-yl)oxyaniline
SMILESCc1cnc(Oc2ccc(N)cc2)nc1
InChIInChI=1S/C11H11N3O/c1-8-6-13-11(14-7-8)15-10-4-2-9(12)3-5-10/h2-7H,12H2,1H3
InChIKeyJJTBSYBEOYVMGF-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': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methylpyrimidin-2-yl)oxyaniline?
The IUPAC name of 4-(5-methylpyrimidin-2-yl)oxyaniline (CID 63208137) is 4-(5-methylpyrimidin-2-yl)oxyaniline.
What is the SMILES notation for 4-(5-methylpyrimidin-2-yl)oxyaniline?
The canonical SMILES for 4-(5-methylpyrimidin-2-yl)oxyaniline is Cc1cnc(Oc2ccc(N)cc2)nc1.
What is the InChIKey of 4-(5-methylpyrimidin-2-yl)oxyaniline?
The InChIKey is JJTBSYBEOYVMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-8-6-13-11(14-7-8)15-10-4-2-9(12)3-5-10/h2-7H,12H2,1H3.
What are the key properties of 4-(5-methylpyrimidin-2-yl)oxyaniline?
4-(5-methylpyrimidin-2-yl)oxyaniline 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 4-(5-methylpyrimidin-2-yl)oxyaniline is sourced from PubChem (CID 63208137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).