2,5-dimethyl-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyaniline

C16H21N3O — CID 63181183

IUPAC2,5-dimethyl-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyaniline
SMILESCc1cc(Oc2cc(C)c(N)cc2C)nc(C(C)C)n1
InChIInChI=1S/C16H21N3O/c1-9(2)16-18-12(5)8-15(19-16)20-14-7-10(3)13(17)6-11(14)4/h6-9H,17H2,1-5H3
InChIKeySSJUUONXXBMLEM-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.90
Rot. Bonds3

About 2,5-dimethyl-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyaniline

2,5-dimethyl-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyaniline (PubChem CID 63181183) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2,5-dimethyl-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyaniline.

Molecular Properties

Compound Name2,5-dimethyl-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyaniline
PubChem CID63181183
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2,5-dimethyl-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyaniline
SMILESCc1cc(Oc2cc(C)c(N)cc2C)nc(C(C)C)n1
InChIInChI=1S/C16H21N3O/c1-9(2)16-18-12(5)8-15(19-16)20-14-7-10(3)13(17)6-11(14)4/h6-9H,17H2,1-5H3
InChIKeySSJUUONXXBMLEM-UHFFFAOYSA-N
XLogP3.90
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.90
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 2,5-dimethyl-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyaniline?
The IUPAC name of 2,5-dimethyl-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyaniline (CID 63181183) is 2,5-dimethyl-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyaniline.
What is the SMILES notation for 2,5-dimethyl-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyaniline?
The canonical SMILES for 2,5-dimethyl-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyaniline is Cc1cc(Oc2cc(C)c(N)cc2C)nc(C(C)C)n1.
What is the InChIKey of 2,5-dimethyl-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyaniline?
The InChIKey is SSJUUONXXBMLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-9(2)16-18-12(5)8-15(19-16)20-14-7-10(3)13(17)6-11(14)4/h6-9H,17H2,1-5H3.
What are the key properties of 2,5-dimethyl-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyaniline?
2,5-dimethyl-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyaniline has a molecular weight of 271.36 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)oxyaniline is sourced from PubChem (CID 63181183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).