4-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-3,3-dimethylbutan-1-ol

C15H27N3O2 — CID 106140773

About 4-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-3,3-dimethylbutan-1-ol

4-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-3,3-dimethylbutan-1-ol (PubChem CID 106140773) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 4-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-3,3-dimethylbutan-1-ol.

Molecular Properties

• Compound Name: 4-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-3,3-dimethylbutan-1-ol
• PubChem CID: 106140773
• Molecular Formula: C15H27N3O2
• Molecular Weight: 281.40 g/mol
• Exact Mass: 281.21
• IUPAC Name: 4-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-3,3-dimethylbutan-1-ol
• SMILES: CC(C)(CCO)CNc1ccc(N)c(OC(C)(C)C)n1
• InChI: InChI=1S/C15H27N3O2/c1-14(2,3)20-13-11(16)6-7-12(18-13)17-10-15(4,5)8-9-19/h6-7,19H,8-10,16H2,1-5H3,(H,17,18)
• InChIKey: AJFWHXOOGXOTIZ-UHFFFAOYSA-N
• XLogP: 2.66
• TPSA: 80.40 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	281.40
LogP ≤ 5	2.66
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-3,3-dimethylbutan-1-ol?

The IUPAC name of 4-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-3,3-dimethylbutan-1-ol (CID 106140773) is 4-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-3,3-dimethylbutan-1-ol.

What is the SMILES notation for 4-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-3,3-dimethylbutan-1-ol?

The canonical SMILES for 4-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-3,3-dimethylbutan-1-ol is CC(C)(CCO)CNc1ccc(N)c(OC(C)(C)C)n1.

What is the InChIKey of 4-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-3,3-dimethylbutan-1-ol?

The InChIKey is AJFWHXOOGXOTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-14(2,3)20-13-11(16)6-7-12(18-13)17-10-15(4,5)8-9-19/h6-7,19H,8-10,16H2,1-5H3,(H,17,18).

What are the key properties of 4-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-3,3-dimethylbutan-1-ol?

4-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-3,3-dimethylbutan-1-ol has a molecular weight of 281.40 g/mol, XLogP of 2.66, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 106140773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).