2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyaniline

C14H17N3O — CID 43517247

IUPAC2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyaniline
SMILESCc1cc(Oc2ccccc2N)nc(C(C)C)n1
InChIInChI=1S/C14H17N3O/c1-9(2)14-16-10(3)8-13(17-14)18-12-7-5-4-6-11(12)15/h4-9H,15H2,1-3H3
InChIKeyUFZBSEAQIPTJBJ-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.28
Rot. Bonds3

About 2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyaniline

2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyaniline (PubChem CID 43517247) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyaniline.

Molecular Properties

Compound Name2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyaniline
PubChem CID43517247
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyaniline
SMILESCc1cc(Oc2ccccc2N)nc(C(C)C)n1
InChIInChI=1S/C14H17N3O/c1-9(2)14-16-10(3)8-13(17-14)18-12-7-5-4-6-11(12)15/h4-9H,15H2,1-3H3
InChIKeyUFZBSEAQIPTJBJ-UHFFFAOYSA-N
XLogP3.28
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.28
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-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyaniline?
The IUPAC name of 2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyaniline (CID 43517247) is 2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyaniline.
What is the SMILES notation for 2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyaniline?
The canonical SMILES for 2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyaniline is Cc1cc(Oc2ccccc2N)nc(C(C)C)n1.
What is the InChIKey of 2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyaniline?
The InChIKey is UFZBSEAQIPTJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-9(2)14-16-10(3)8-13(17-14)18-12-7-5-4-6-11(12)15/h4-9H,15H2,1-3H3.
What are the key properties of 2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyaniline?
2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyaniline has a molecular weight of 243.31 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyaniline is sourced from PubChem (CID 43517247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).