2-N,4-N,4-N,6-N,6-N-pentamethoxy-2-N-(methoxymethoxy)-1,3,5-triazine-2,4,6-triamine

C10H20N6O7 — CID 89077824

IUPAC2-N,4-N,4-N,6-N,6-N-pentamethoxy-2-N-(methoxymethoxy)-1,3,5-triazine-2,4,6-triamine
SMILESCOCON(OC)c1nc(N(OC)OC)nc(N(OC)OC)n1
InChIInChI=1S/C10H20N6O7/c1-17-7-23-16(22-6)10-12-8(14(18-2)19-3)11-9(13-10)15(20-4)21-5/h7H2,1-6H3
InChIKeyUOSPNKMAERQKJY-UHFFFAOYSA-N
MW336.31 g/mol
LogP-0.37
Rot. Bonds11

About 2-N,4-N,4-N,6-N,6-N-pentamethoxy-2-N-(methoxymethoxy)-1,3,5-triazine-2,4,6-triamine

2-N,4-N,4-N,6-N,6-N-pentamethoxy-2-N-(methoxymethoxy)-1,3,5-triazine-2,4,6-triamine (PubChem CID 89077824) has the molecular formula C10H20N6O7 and a molecular weight of 336.31 g/mol. Its IUPAC name is 2-N,4-N,4-N,6-N,6-N-pentamethoxy-2-N-(methoxymethoxy)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,4-N,4-N,6-N,6-N-pentamethoxy-2-N-(methoxymethoxy)-1,3,5-triazine-2,4,6-triamine
PubChem CID89077824
Molecular FormulaC10H20N6O7
Molecular Weight336.31 g/mol
Exact Mass336.14
IUPAC Name2-N,4-N,4-N,6-N,6-N-pentamethoxy-2-N-(methoxymethoxy)-1,3,5-triazine-2,4,6-triamine
SMILESCOCON(OC)c1nc(N(OC)OC)nc(N(OC)OC)n1
InChIInChI=1S/C10H20N6O7/c1-17-7-23-16(22-6)10-12-8(14(18-2)19-3)11-9(13-10)15(20-4)21-5/h7H2,1-6H3
InChIKeyUOSPNKMAERQKJY-UHFFFAOYSA-N
XLogP-0.37
TPSA113.00 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.31
LogP ≤ 5-0.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 2-N,4-N,4-N,6-N,6-N-pentamethoxy-2-N-(methoxymethoxy)-1,3,5-triazine-2,4,6-triamine with MolForge

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Launch Full Analysis

Related Compounds

N~2~,N~2~,N~4~,N~4~,N~6~,N~6~-Hexamethoxy-1,3,5-triazine-2,4,6-triamine
CID 18981593
Pentamethoxy-methylmelamine
CID 21900396
2-N,2-N,4-N,4-N,6-N-pentamethoxy-6-N-(methoxymethyl)-1,3,5-triazine-2,4,6-triamine
CID 53714804
[[4,6-Bis(dimethoxyamino)-1,3,5-triazin-2-yl]-methoxyamino]-methoxymethanol
CID 54286124
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
6-N-[fluoro(methoxy)methyl]-2-N,2-N,4-N,4-N,6-N-pentamethoxy-1,3,5-triazine-2,4,6-triamine
CID 87586797
formaldehyde;2-N,2-N,4-N,4-N,6-N,6-N-hexamethoxy-1,3,5-triazine-2,4,6-triamine
CID 18981592
2-N,2-N-dimethoxy-4-N,4-N,6-N,6-N-tetrakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine
CID 23516481
[[4,6-Bis(dimethoxyamino)-1,3,5-triazin-2-yl]-methylamino]-methoxymethanol
CID 54307076
[4,6-Bis[dimethoxy(methyl)azaniumyl]-1,3,5-triazin-2-yl]-dimethoxy-methylazanium
CID 57122568
2-N,2-N,4-N,6-N-tetramethoxy-4-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 58363766
[[4-(Dimethoxyamino)-6-[methoxy(methyl)amino]-1,3,5-triazin-2-yl]-(hydroxymethyl)amino]-methoxymethanol
CID 87329866

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N,4-N,6-N,6-N-pentamethoxy-2-N-(methoxymethoxy)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,4-N,4-N,6-N,6-N-pentamethoxy-2-N-(methoxymethoxy)-1,3,5-triazine-2,4,6-triamine (CID 89077824) is 2-N,4-N,4-N,6-N,6-N-pentamethoxy-2-N-(methoxymethoxy)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,4-N,4-N,6-N,6-N-pentamethoxy-2-N-(methoxymethoxy)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,4-N,4-N,6-N,6-N-pentamethoxy-2-N-(methoxymethoxy)-1,3,5-triazine-2,4,6-triamine is COCON(OC)c1nc(N(OC)OC)nc(N(OC)OC)n1.
What is the InChIKey of 2-N,4-N,4-N,6-N,6-N-pentamethoxy-2-N-(methoxymethoxy)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is UOSPNKMAERQKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N6O7/c1-17-7-23-16(22-6)10-12-8(14(18-2)19-3)11-9(13-10)15(20-4)21-5/h7H2,1-6H3.
What are the key properties of 2-N,4-N,4-N,6-N,6-N-pentamethoxy-2-N-(methoxymethoxy)-1,3,5-triazine-2,4,6-triamine?
2-N,4-N,4-N,6-N,6-N-pentamethoxy-2-N-(methoxymethoxy)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 336.31 g/mol, XLogP of -0.37, 11 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N,4-N,6-N,6-N-pentamethoxy-2-N-(methoxymethoxy)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 89077824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).