6-N-[difluoro(methoxy)methyl]-2-N,2-N,4-N,4-N,6-N-pentamethoxy-1,3,5-triazine-2,4,6-triamine

C10H18F2N6O6 — CID 87585653

About 6-N-[difluoro(methoxy)methyl]-2-N,2-N,4-N,4-N,6-N-pentamethoxy-1,3,5-triazine-2,4,6-triamine

6-N-[difluoro(methoxy)methyl]-2-N,2-N,4-N,4-N,6-N-pentamethoxy-1,3,5-triazine-2,4,6-triamine (PubChem CID 87585653) has the molecular formula C10H18F2N6O6 and a molecular weight of 356.29 g/mol. Its IUPAC name is 6-N-[difluoro(methoxy)methyl]-2-N,2-N,4-N,4-N,6-N-pentamethoxy-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

• Compound Name: 6-N-[difluoro(methoxy)methyl]-2-N,2-N,4-N,4-N,6-N-pentamethoxy-1,3,5-triazine-2,4,6-triamine
• PubChem CID: 87585653
• Molecular Formula: C10H18F2N6O6
• Molecular Weight: 356.29 g/mol
• Exact Mass: 356.13
• IUPAC Name: 6-N-[difluoro(methoxy)methyl]-2-N,2-N,4-N,4-N,6-N-pentamethoxy-1,3,5-triazine-2,4,6-triamine
• SMILES: CON(OC)c1nc(N(OC)OC)nc(N(OC)C(F)(F)OC)n1
• InChI: InChI=1S/C10H18F2N6O6/c1-19-10(11,12)16(20-2)7-13-8(17(21-3)22-4)15-9(14-7)18(23-5)24-6/h1-6H3
• InChIKey: QSYDILPVXLKFTQ-UHFFFAOYSA-N
• XLogP: 0.29
• TPSA: 103.77 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	356.29
LogP ≤ 5	0.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-N-[difluoro(methoxy)methyl]-2-N,2-N,4-N,4-N,6-N-pentamethoxy-1,3,5-triazine-2,4,6-triamine?

The IUPAC name of 6-N-[difluoro(methoxy)methyl]-2-N,2-N,4-N,4-N,6-N-pentamethoxy-1,3,5-triazine-2,4,6-triamine (CID 87585653) is 6-N-[difluoro(methoxy)methyl]-2-N,2-N,4-N,4-N,6-N-pentamethoxy-1,3,5-triazine-2,4,6-triamine.

What is the SMILES notation for 6-N-[difluoro(methoxy)methyl]-2-N,2-N,4-N,4-N,6-N-pentamethoxy-1,3,5-triazine-2,4,6-triamine?

The canonical SMILES for 6-N-[difluoro(methoxy)methyl]-2-N,2-N,4-N,4-N,6-N-pentamethoxy-1,3,5-triazine-2,4,6-triamine is CON(OC)c1nc(N(OC)OC)nc(N(OC)C(F)(F)OC)n1.

What is the InChIKey of 6-N-[difluoro(methoxy)methyl]-2-N,2-N,4-N,4-N,6-N-pentamethoxy-1,3,5-triazine-2,4,6-triamine?

The InChIKey is QSYDILPVXLKFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N6O6/c1-19-10(11,12)16(20-2)7-13-8(17(21-3)22-4)15-9(14-7)18(23-5)24-6/h1-6H3.

What are the key properties of 6-N-[difluoro(methoxy)methyl]-2-N,2-N,4-N,4-N,6-N-pentamethoxy-1,3,5-triazine-2,4,6-triamine?

6-N-[difluoro(methoxy)methyl]-2-N,2-N,4-N,4-N,6-N-pentamethoxy-1,3,5-triazine-2,4,6-triamine has a molecular weight of 356.29 g/mol, XLogP of 0.29, 10 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-N-[difluoro(methoxy)methyl]-2-N,2-N,4-N,4-N,6-N-pentamethoxy-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 87585653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).