2,4,5-trimethyl-6-(2-propan-2-ylanilino)pyridin-3-ol

C17H22N2O — CID 71622519

IUPAC2,4,5-trimethyl-6-(2-propan-2-ylanilino)pyridin-3-ol
SMILESCc1nc(Nc2ccccc2C(C)C)c(C)c(C)c1O
InChIInChI=1S/C17H22N2O/c1-10(2)14-8-6-7-9-15(14)19-17-12(4)11(3)16(20)13(5)18-17/h6-10,20H,1-5H3,(H,18,19)
InChIKeyJFHYJCRAKROONH-UHFFFAOYSA-N
MW270.38 g/mol
LogP4.58
Rot. Bonds3

About 2,4,5-trimethyl-6-(2-propan-2-ylanilino)pyridin-3-ol

2,4,5-trimethyl-6-(2-propan-2-ylanilino)pyridin-3-ol (PubChem CID 71622519) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 2,4,5-trimethyl-6-(2-propan-2-ylanilino)pyridin-3-ol.

Molecular Properties

Compound Name2,4,5-trimethyl-6-(2-propan-2-ylanilino)pyridin-3-ol
PubChem CID71622519
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name2,4,5-trimethyl-6-(2-propan-2-ylanilino)pyridin-3-ol
SMILESCc1nc(Nc2ccccc2C(C)C)c(C)c(C)c1O
InChIInChI=1S/C17H22N2O/c1-10(2)14-8-6-7-9-15(14)19-17-12(4)11(3)16(20)13(5)18-17/h6-10,20H,1-5H3,(H,18,19)
InChIKeyJFHYJCRAKROONH-UHFFFAOYSA-N
XLogP4.58
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-6-(2-propan-2-ylanilino)pyridin-3-ol?
The IUPAC name of 2,4,5-trimethyl-6-(2-propan-2-ylanilino)pyridin-3-ol (CID 71622519) is 2,4,5-trimethyl-6-(2-propan-2-ylanilino)pyridin-3-ol.
What is the SMILES notation for 2,4,5-trimethyl-6-(2-propan-2-ylanilino)pyridin-3-ol?
The canonical SMILES for 2,4,5-trimethyl-6-(2-propan-2-ylanilino)pyridin-3-ol is Cc1nc(Nc2ccccc2C(C)C)c(C)c(C)c1O.
What is the InChIKey of 2,4,5-trimethyl-6-(2-propan-2-ylanilino)pyridin-3-ol?
The InChIKey is JFHYJCRAKROONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-10(2)14-8-6-7-9-15(14)19-17-12(4)11(3)16(20)13(5)18-17/h6-10,20H,1-5H3,(H,18,19).
What are the key properties of 2,4,5-trimethyl-6-(2-propan-2-ylanilino)pyridin-3-ol?
2,4,5-trimethyl-6-(2-propan-2-ylanilino)pyridin-3-ol has a molecular weight of 270.38 g/mol, XLogP of 4.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-6-(2-propan-2-ylanilino)pyridin-3-ol is sourced from PubChem (CID 71622519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).