2-methyl-4-(2-methylpyrimidin-4-yl)oxy-5-propan-2-ylaniline

C15H19N3O — CID 65216802

IUPAC2-methyl-4-(2-methylpyrimidin-4-yl)oxy-5-propan-2-ylaniline
SMILESCc1nccc(Oc2cc(C)c(N)cc2C(C)C)n1
InChIInChI=1S/C15H19N3O/c1-9(2)12-8-13(16)10(3)7-14(12)19-15-5-6-17-11(4)18-15/h5-9H,16H2,1-4H3
InChIKeyOXGUAMFHOWUBTH-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.59
Rot. Bonds3

About 2-methyl-4-(2-methylpyrimidin-4-yl)oxy-5-propan-2-ylaniline

2-methyl-4-(2-methylpyrimidin-4-yl)oxy-5-propan-2-ylaniline (PubChem CID 65216802) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-methyl-4-(2-methylpyrimidin-4-yl)oxy-5-propan-2-ylaniline.

Molecular Properties

Compound Name2-methyl-4-(2-methylpyrimidin-4-yl)oxy-5-propan-2-ylaniline
PubChem CID65216802
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-methyl-4-(2-methylpyrimidin-4-yl)oxy-5-propan-2-ylaniline
SMILESCc1nccc(Oc2cc(C)c(N)cc2C(C)C)n1
InChIInChI=1S/C15H19N3O/c1-9(2)12-8-13(16)10(3)7-14(12)19-15-5-6-17-11(4)18-15/h5-9H,16H2,1-4H3
InChIKeyOXGUAMFHOWUBTH-UHFFFAOYSA-N
XLogP3.59
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.59
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-(2-methylpyrimidin-4-yl)oxy-5-propan-2-ylaniline?
The IUPAC name of 2-methyl-4-(2-methylpyrimidin-4-yl)oxy-5-propan-2-ylaniline (CID 65216802) is 2-methyl-4-(2-methylpyrimidin-4-yl)oxy-5-propan-2-ylaniline.
What is the SMILES notation for 2-methyl-4-(2-methylpyrimidin-4-yl)oxy-5-propan-2-ylaniline?
The canonical SMILES for 2-methyl-4-(2-methylpyrimidin-4-yl)oxy-5-propan-2-ylaniline is Cc1nccc(Oc2cc(C)c(N)cc2C(C)C)n1.
What is the InChIKey of 2-methyl-4-(2-methylpyrimidin-4-yl)oxy-5-propan-2-ylaniline?
The InChIKey is OXGUAMFHOWUBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-9(2)12-8-13(16)10(3)7-14(12)19-15-5-6-17-11(4)18-15/h5-9H,16H2,1-4H3.
What are the key properties of 2-methyl-4-(2-methylpyrimidin-4-yl)oxy-5-propan-2-ylaniline?
2-methyl-4-(2-methylpyrimidin-4-yl)oxy-5-propan-2-ylaniline has a molecular weight of 257.34 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-methylpyrimidin-4-yl)oxy-5-propan-2-ylaniline is sourced from PubChem (CID 65216802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).