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

C16H29N3O2 — CID 106141303

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

5-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-4,4-dimethylpentan-1-ol (PubChem CID 106141303) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 5-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-4,4-dimethylpentan-1-ol.

Molecular Properties

• Compound Name: 5-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-4,4-dimethylpentan-1-ol
• PubChem CID: 106141303
• Molecular Formula: C16H29N3O2
• Molecular Weight: 295.43 g/mol
• Exact Mass: 295.23
• IUPAC Name: 5-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-4,4-dimethylpentan-1-ol
• SMILES: CC(C)(CCCO)CNc1ccc(N)c(OC(C)(C)C)n1
• InChI: InChI=1S/C16H29N3O2/c1-15(2,3)21-14-12(17)7-8-13(19-14)18-11-16(4,5)9-6-10-20/h7-8,20H,6,9-11,17H2,1-5H3,(H,18,19)
• InChIKey: SBTCQRVPYWGOEY-UHFFFAOYSA-N
• XLogP: 3.05
• TPSA: 80.40 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	295.43
LogP ≤ 5	3.05
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 5-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-4,4-dimethylpentan-1-ol (CID 106141303) is 5-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-4,4-dimethylpentan-1-ol.

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

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

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

The InChIKey is SBTCQRVPYWGOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-15(2,3)21-14-12(17)7-8-13(19-14)18-11-16(4,5)9-6-10-20/h7-8,20H,6,9-11,17H2,1-5H3,(H,18,19).

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

5-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-4,4-dimethylpentan-1-ol has a molecular weight of 295.43 g/mol, XLogP of 3.05, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 106141303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).