4-[[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]oxan-4-ol

C₁₃H₂₄N₆O₂ — CID 81133323

About 4-[[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]oxan-4-ol

4-[[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]oxan-4-ol (PubChem CID 81133323) has the molecular formula C₁₃H₂₄N₆O₂ and a molecular weight of 296.38 g/mol. Its IUPAC name is 4-[[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]oxan-4-ol.

Molecular Properties

• Compound Name: 4-[[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]oxan-4-ol
• PubChem CID: 81133323
• Molecular Formula: C₁₃H₂₄N₆O₂
• Molecular Weight: 296.38 g/mol
• Exact Mass: 296.20
• IUPAC Name: 4-[[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]oxan-4-ol
• SMILES: CCN(CC)c1nc(N)nc(NCC2(O)CCOCC2)n1
• InChI: InChI=1S/C13H24N6O2/c1-3-19(4-2)12-17-10(14)16-11(18-12)15-9-13(20)5-7-21-8-6-13/h20H,3-9H2,1-2H3,(H3,14,15,16,17,18)
• InChIKey: JKDFQYXSFYCZJH-UHFFFAOYSA-N
• XLogP: 0.25
• TPSA: 109.42 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	296.38
LogP ≤ 5	0.25
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]oxan-4-ol?

The IUPAC name of 4-[[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]oxan-4-ol (CID 81133323) is 4-[[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]oxan-4-ol.

What is the SMILES notation for 4-[[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]oxan-4-ol?

The canonical SMILES for 4-[[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]oxan-4-ol is CCN(CC)c1nc(N)nc(NCC2(O)CCOCC2)n1.

What is the InChIKey of 4-[[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]oxan-4-ol?

The InChIKey is JKDFQYXSFYCZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6O2/c1-3-19(4-2)12-17-10(14)16-11(18-12)15-9-13(20)5-7-21-8-6-13/h20H,3-9H2,1-2H3,(H3,14,15,16,17,18).

What are the key properties of 4-[[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]oxan-4-ol?

4-[[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]oxan-4-ol has a molecular weight of 296.38 g/mol, XLogP of 0.25, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]oxan-4-ol is sourced from PubChem (CID 81133323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 81133323 — identifiers, structure, computed properties (public domain)

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