6-methoxy-2-N-(2-propan-2-ylphenyl)pyridine-2,5-diamine

C15H19N3O — CID 43261406

IUPAC6-methoxy-2-N-(2-propan-2-ylphenyl)pyridine-2,5-diamine
SMILESCOc1nc(Nc2ccccc2C(C)C)ccc1N
InChIInChI=1S/C15H19N3O/c1-10(2)11-6-4-5-7-13(11)17-14-9-8-12(16)15(18-14)19-3/h4-10H,16H2,1-3H3,(H,17,18)
InChIKeySACLFKKHEYJFMR-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.54
Rot. Bonds4

About 6-methoxy-2-N-(2-propan-2-ylphenyl)pyridine-2,5-diamine

6-methoxy-2-N-(2-propan-2-ylphenyl)pyridine-2,5-diamine (PubChem CID 43261406) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 6-methoxy-2-N-(2-propan-2-ylphenyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name6-methoxy-2-N-(2-propan-2-ylphenyl)pyridine-2,5-diamine
PubChem CID43261406
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name6-methoxy-2-N-(2-propan-2-ylphenyl)pyridine-2,5-diamine
SMILESCOc1nc(Nc2ccccc2C(C)C)ccc1N
InChIInChI=1S/C15H19N3O/c1-10(2)11-6-4-5-7-13(11)17-14-9-8-12(16)15(18-14)19-3/h4-10H,16H2,1-3H3,(H,17,18)
InChIKeySACLFKKHEYJFMR-UHFFFAOYSA-N
XLogP3.54
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-N-(2-propan-2-ylphenyl)pyridine-2,5-diamine?
The IUPAC name of 6-methoxy-2-N-(2-propan-2-ylphenyl)pyridine-2,5-diamine (CID 43261406) is 6-methoxy-2-N-(2-propan-2-ylphenyl)pyridine-2,5-diamine.
What is the SMILES notation for 6-methoxy-2-N-(2-propan-2-ylphenyl)pyridine-2,5-diamine?
The canonical SMILES for 6-methoxy-2-N-(2-propan-2-ylphenyl)pyridine-2,5-diamine is COc1nc(Nc2ccccc2C(C)C)ccc1N.
What is the InChIKey of 6-methoxy-2-N-(2-propan-2-ylphenyl)pyridine-2,5-diamine?
The InChIKey is SACLFKKHEYJFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10(2)11-6-4-5-7-13(11)17-14-9-8-12(16)15(18-14)19-3/h4-10H,16H2,1-3H3,(H,17,18).
What are the key properties of 6-methoxy-2-N-(2-propan-2-ylphenyl)pyridine-2,5-diamine?
6-methoxy-2-N-(2-propan-2-ylphenyl)pyridine-2,5-diamine has a molecular weight of 257.34 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-N-(2-propan-2-ylphenyl)pyridine-2,5-diamine is sourced from PubChem (CID 43261406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).