2-N-(3,3-dimethylbutan-2-yl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine

C15H27N3O — CID 104827461

IUPAC2-N-(3,3-dimethylbutan-2-yl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
SMILESCC(Nc1ccc(N)c(OC(C)(C)C)n1)C(C)(C)C
InChIInChI=1S/C15H27N3O/c1-10(14(2,3)4)17-12-9-8-11(16)13(18-12)19-15(5,6)7/h8-10H,16H2,1-7H3,(H,17,18)
InChIKeyRKZAUHOXVNAMCW-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.69
Rot. Bonds3

About 2-N-(3,3-dimethylbutan-2-yl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine

2-N-(3,3-dimethylbutan-2-yl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine (PubChem CID 104827461) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-N-(3,3-dimethylbutan-2-yl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(3,3-dimethylbutan-2-yl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
PubChem CID104827461
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name2-N-(3,3-dimethylbutan-2-yl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine
SMILESCC(Nc1ccc(N)c(OC(C)(C)C)n1)C(C)(C)C
InChIInChI=1S/C15H27N3O/c1-10(14(2,3)4)17-12-9-8-11(16)13(18-12)19-15(5,6)7/h8-10H,16H2,1-7H3,(H,17,18)
InChIKeyRKZAUHOXVNAMCW-UHFFFAOYSA-N
XLogP3.69
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-N-(3,3-dimethylbutan-2-yl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N-(3,3-dimethylbutan-2-yl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine?
The IUPAC name of 2-N-(3,3-dimethylbutan-2-yl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine (CID 104827461) is 2-N-(3,3-dimethylbutan-2-yl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine.
What is the SMILES notation for 2-N-(3,3-dimethylbutan-2-yl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine?
The canonical SMILES for 2-N-(3,3-dimethylbutan-2-yl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine is CC(Nc1ccc(N)c(OC(C)(C)C)n1)C(C)(C)C.
What is the InChIKey of 2-N-(3,3-dimethylbutan-2-yl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine?
The InChIKey is RKZAUHOXVNAMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-10(14(2,3)4)17-12-9-8-11(16)13(18-12)19-15(5,6)7/h8-10H,16H2,1-7H3,(H,17,18).
What are the key properties of 2-N-(3,3-dimethylbutan-2-yl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine?
2-N-(3,3-dimethylbutan-2-yl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine has a molecular weight of 265.40 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,3-dimethylbutan-2-yl)-6-[(2-methylpropan-2-yl)oxy]pyridine-2,5-diamine is sourced from PubChem (CID 104827461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).