3-[4-methyl-6-[[(1S)-1-(1-pyridin-4-ylimidazol-4-yl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one

C₁₇H₁₈N₈O₂ — CID 154974894

About 3-[4-methyl-6-[[(1S)-1-(1-pyridin-4-ylimidazol-4-yl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one

3-[4-methyl-6-[[(1S)-1-(1-pyridin-4-ylimidazol-4-yl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one (PubChem CID 154974894) has the molecular formula C₁₇H₁₈N₈O₂ and a molecular weight of 366.39 g/mol. Its IUPAC name is 3-[4-methyl-6-[[(1S)-1-(1-pyridin-4-ylimidazol-4-yl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 3-[4-methyl-6-[[(1S)-1-(1-pyridin-4-ylimidazol-4-yl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one
• PubChem CID: 154974894
• Molecular Formula: C₁₇H₁₈N₈O₂
• Molecular Weight: 366.39 g/mol
• Exact Mass: 366.16
• IUPAC Name: 3-[4-methyl-6-[[(1S)-1-(1-pyridin-4-ylimidazol-4-yl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one
• SMILES: Cc1nc(N[C@@H](C)c2cn(-c3ccncc3)cn2)nc(N2CCOC2=O)n1
• InChI: InChI=1S/C17H18N8O2/c1-11(14-9-24(10-19-14)13-3-5-18-6-4-13)20-15-21-12(2)22-16(23-15)25-7-8-27-17(25)26/h3-6,9-11H,7-8H2,1-2H3,(H,20,21,22,23)/t11-/m0/s1
• InChIKey: NFALUEJSDNXJAD-NSHDSACASA-N
• XLogP: 1.89
• TPSA: 110.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.39
LogP ≤ 5	1.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-[4-methyl-6-[[(1S)-1-(1-pyridin-4-ylimidazol-4-yl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one?

The IUPAC name of 3-[4-methyl-6-[[(1S)-1-(1-pyridin-4-ylimidazol-4-yl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one (CID 154974894) is 3-[4-methyl-6-[[(1S)-1-(1-pyridin-4-ylimidazol-4-yl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one.

What is the SMILES notation for 3-[4-methyl-6-[[(1S)-1-(1-pyridin-4-ylimidazol-4-yl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one?

The canonical SMILES for 3-[4-methyl-6-[[(1S)-1-(1-pyridin-4-ylimidazol-4-yl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one is Cc1nc(N[C@@H](C)c2cn(-c3ccncc3)cn2)nc(N2CCOC2=O)n1.

What is the InChIKey of 3-[4-methyl-6-[[(1S)-1-(1-pyridin-4-ylimidazol-4-yl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one?

The InChIKey is NFALUEJSDNXJAD-NSHDSACASA-N. The full InChI is InChI=1S/C17H18N8O2/c1-11(14-9-24(10-19-14)13-3-5-18-6-4-13)20-15-21-12(2)22-16(23-15)25-7-8-27-17(25)26/h3-6,9-11H,7-8H2,1-2H3,(H,20,21,22,23)/t11-/m0/s1.

What are the key properties of 3-[4-methyl-6-[[(1S)-1-(1-pyridin-4-ylimidazol-4-yl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one?

3-[4-methyl-6-[[(1S)-1-(1-pyridin-4-ylimidazol-4-yl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one has a molecular weight of 366.39 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-methyl-6-[[(1S)-1-(1-pyridin-4-ylimidazol-4-yl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 154974894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154974894 — identifiers, structure, computed properties (public domain)

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