6-(benzylamino)-2,4,5-trimethylpyridin-3-ol

C15H18N2O — CID 71622517

IUPAC6-(benzylamino)-2,4,5-trimethylpyridin-3-ol
SMILESCc1nc(NCc2ccccc2)c(C)c(C)c1O
InChIInChI=1S/C15H18N2O/c1-10-11(2)15(17-12(3)14(10)18)16-9-13-7-5-4-6-8-13/h4-8,18H,9H2,1-3H3,(H,16,17)
InChIKeyVXLUNNPCWNZJDU-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.32
Rot. Bonds3

About 6-(benzylamino)-2,4,5-trimethylpyridin-3-ol

6-(benzylamino)-2,4,5-trimethylpyridin-3-ol (PubChem CID 71622517) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 6-(benzylamino)-2,4,5-trimethylpyridin-3-ol.

Molecular Properties

Compound Name6-(benzylamino)-2,4,5-trimethylpyridin-3-ol
PubChem CID71622517
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name6-(benzylamino)-2,4,5-trimethylpyridin-3-ol
SMILESCc1nc(NCc2ccccc2)c(C)c(C)c1O
InChIInChI=1S/C15H18N2O/c1-10-11(2)15(17-12(3)14(10)18)16-9-13-7-5-4-6-8-13/h4-8,18H,9H2,1-3H3,(H,16,17)
InChIKeyVXLUNNPCWNZJDU-UHFFFAOYSA-N
XLogP3.32
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(benzylamino)-2,4,5-trimethylpyridin-3-ol?
The IUPAC name of 6-(benzylamino)-2,4,5-trimethylpyridin-3-ol (CID 71622517) is 6-(benzylamino)-2,4,5-trimethylpyridin-3-ol.
What is the SMILES notation for 6-(benzylamino)-2,4,5-trimethylpyridin-3-ol?
The canonical SMILES for 6-(benzylamino)-2,4,5-trimethylpyridin-3-ol is Cc1nc(NCc2ccccc2)c(C)c(C)c1O.
What is the InChIKey of 6-(benzylamino)-2,4,5-trimethylpyridin-3-ol?
The InChIKey is VXLUNNPCWNZJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-10-11(2)15(17-12(3)14(10)18)16-9-13-7-5-4-6-8-13/h4-8,18H,9H2,1-3H3,(H,16,17).
What are the key properties of 6-(benzylamino)-2,4,5-trimethylpyridin-3-ol?
6-(benzylamino)-2,4,5-trimethylpyridin-3-ol has a molecular weight of 242.32 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzylamino)-2,4,5-trimethylpyridin-3-ol is sourced from PubChem (CID 71622517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).