2-N-[2-[[4,6-bis(dimethoxyamino)-1,3,5-triazin-2-yl]-methoxyamino]ethyl]-2-N-methoxy-4-N-methyl-1,3,5-triazine-2,4,6-triamine

C15H28N12O6 — CID 19095110

About 2-N-[2-[[4,6-bis(dimethoxyamino)-1,3,5-triazin-2-yl]-methoxyamino]ethyl]-2-N-methoxy-4-N-methyl-1,3,5-triazine-2,4,6-triamine

2-N-[2-[[4,6-bis(dimethoxyamino)-1,3,5-triazin-2-yl]-methoxyamino]ethyl]-2-N-methoxy-4-N-methyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 19095110) has the molecular formula C15H28N12O6 and a molecular weight of 472.47 g/mol. Its IUPAC name is 2-N-[2-[[4,6-bis(dimethoxyamino)-1,3,5-triazin-2-yl]-methoxyamino]ethyl]-2-N-methoxy-4-N-methyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

• Compound Name: 2-N-[2-[[4,6-bis(dimethoxyamino)-1,3,5-triazin-2-yl]-methoxyamino]ethyl]-2-N-methoxy-4-N-methyl-1,3,5-triazine-2,4,6-triamine
• PubChem CID: 19095110
• Molecular Formula: C15H28N12O6
• Molecular Weight: 472.47 g/mol
• Exact Mass: 472.23
• IUPAC Name: 2-N-[2-[[4,6-bis(dimethoxyamino)-1,3,5-triazin-2-yl]-methoxyamino]ethyl]-2-N-methoxy-4-N-methyl-1,3,5-triazine-2,4,6-triamine
• SMILES: CNc1nc(N)nc(N(CCN(OC)c2nc(N(OC)OC)nc(N(OC)OC)n2)OC)n1
• InChI: InChI=1S/C15H28N12O6/c1-17-11-18-10(16)19-12(20-11)24(28-2)8-9-25(29-3)13-21-14(26(30-4)31-5)23-15(22-13)27(32-6)33-7/h8-9H2,1-7H3,(H3,16,17,18,19,20)
• InChIKey: CGZJHTRYMCZISU-UHFFFAOYSA-N
• XLogP: -1.03
• TPSA: 183.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 14
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.47
LogP ≤ 5	-1.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-[[4,6-bis(dimethoxyamino)-1,3,5-triazin-2-yl]-methoxyamino]ethyl]-2-N-methoxy-4-N-methyl-1,3,5-triazine-2,4,6-triamine?

The IUPAC name of 2-N-[2-[[4,6-bis(dimethoxyamino)-1,3,5-triazin-2-yl]-methoxyamino]ethyl]-2-N-methoxy-4-N-methyl-1,3,5-triazine-2,4,6-triamine (CID 19095110) is 2-N-[2-[[4,6-bis(dimethoxyamino)-1,3,5-triazin-2-yl]-methoxyamino]ethyl]-2-N-methoxy-4-N-methyl-1,3,5-triazine-2,4,6-triamine.

What is the SMILES notation for 2-N-[2-[[4,6-bis(dimethoxyamino)-1,3,5-triazin-2-yl]-methoxyamino]ethyl]-2-N-methoxy-4-N-methyl-1,3,5-triazine-2,4,6-triamine?

The canonical SMILES for 2-N-[2-[[4,6-bis(dimethoxyamino)-1,3,5-triazin-2-yl]-methoxyamino]ethyl]-2-N-methoxy-4-N-methyl-1,3,5-triazine-2,4,6-triamine is CNc1nc(N)nc(N(CCN(OC)c2nc(N(OC)OC)nc(N(OC)OC)n2)OC)n1.

What is the InChIKey of 2-N-[2-[[4,6-bis(dimethoxyamino)-1,3,5-triazin-2-yl]-methoxyamino]ethyl]-2-N-methoxy-4-N-methyl-1,3,5-triazine-2,4,6-triamine?

The InChIKey is CGZJHTRYMCZISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N12O6/c1-17-11-18-10(16)19-12(20-11)24(28-2)8-9-25(29-3)13-21-14(26(30-4)31-5)23-15(22-13)27(32-6)33-7/h8-9H2,1-7H3,(H3,16,17,18,19,20).

What are the key properties of 2-N-[2-[[4,6-bis(dimethoxyamino)-1,3,5-triazin-2-yl]-methoxyamino]ethyl]-2-N-methoxy-4-N-methyl-1,3,5-triazine-2,4,6-triamine?

2-N-[2-[[4,6-bis(dimethoxyamino)-1,3,5-triazin-2-yl]-methoxyamino]ethyl]-2-N-methoxy-4-N-methyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 472.47 g/mol, XLogP of -1.03, 14 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-[2-[[4,6-bis(dimethoxyamino)-1,3,5-triazin-2-yl]-methoxyamino]ethyl]-2-N-methoxy-4-N-methyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 19095110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).