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

C14H28N6O7 — CID 23212933

IUPAC2-N-(1,1,2,2,3,3-hexamethoxybutoxymethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCOC(C)(OC)C(OC)(OC)C(OC)(OC)OCNc1nc(N)nc(N)n1
InChIInChI=1S/C14H28N6O7/c1-12(21-2,22-3)13(23-4,24-5)14(25-6,26-7)27-8-17-11-19-9(15)18-10(16)20-11/h8H2,1-7H3,(H5,15,16,17,18,19,20)
InChIKeyDRNBBFVUAKEOAI-UHFFFAOYSA-N
MW392.41 g/mol
LogP-0.63
Rot. Bonds12

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

2-N-(1,1,2,2,3,3-hexamethoxybutoxymethyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 23212933) has the molecular formula C14H28N6O7 and a molecular weight of 392.41 g/mol. Its IUPAC name is 2-N-(1,1,2,2,3,3-hexamethoxybutoxymethyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-(1,1,2,2,3,3-hexamethoxybutoxymethyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID23212933
Molecular FormulaC14H28N6O7
Molecular Weight392.41 g/mol
Exact Mass392.20
IUPAC Name2-N-(1,1,2,2,3,3-hexamethoxybutoxymethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCOC(C)(OC)C(OC)(OC)C(OC)(OC)OCNc1nc(N)nc(N)n1
InChIInChI=1S/C14H28N6O7/c1-12(21-2,22-3)13(23-4,24-5)14(25-6,26-7)27-8-17-11-19-9(15)18-10(16)20-11/h8H2,1-7H3,(H5,15,16,17,18,19,20)
InChIKeyDRNBBFVUAKEOAI-UHFFFAOYSA-N
XLogP-0.63
TPSA167.35 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.41
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

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

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Related Compounds

2-N-(1-methoxypropan-2-yloxymethyl)-1,3,5-triazine-2,4,6-triamine
CID 19595873
2-N-(1,1,2,2,3,3-hexamethoxybutoxy)-2-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 20488472
2-N-[butoxy(methoxy)methyl]-1,3,5-triazine-2,4,6-triamine
CID 53765369
2-N-(dibutoxymethyl)-1,3,5-triazine-2,4,6-triamine
CID 53844699
2-N-(butoxymethoxymethyl)-1,3,5-triazine-2,4,6-triamine
CID 53874863
2-N-[dimethoxy(1,1,2,2-tetramethoxybutoxy)methyl]-1,3,5-triazine-2,4,6-triamine
CID 56613393
2-N-(1-methoxybutoxymethyl)-1,3,5-triazine-2,4,6-triamine
CID 67569071
2-N-(1-methoxypentan-2-yloxymethyl)-1,3,5-triazine-2,4,6-triamine
CID 67613509
2-N-(butoxymethyl)-4-N,6-N-bis(ethoxymethyl)-1,3,5-triazine-2,4,6-triamine
CID 68897091
2-N-(butoxymethyl)-4-N,6-N-bis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine
CID 69402521
N~2~,N~4~-Bis(butoxymethyl)-1,3,5-triazine-2,4,6-triamine
CID 71375053
2-N-(1,1,2,4,4,4-hexamethoxybutoxy)-2-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 140335862

Frequently Asked Questions

What is the IUPAC name of 2-N-(1,1,2,2,3,3-hexamethoxybutoxymethyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-(1,1,2,2,3,3-hexamethoxybutoxymethyl)-1,3,5-triazine-2,4,6-triamine (CID 23212933) is 2-N-(1,1,2,2,3,3-hexamethoxybutoxymethyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-(1,1,2,2,3,3-hexamethoxybutoxymethyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-(1,1,2,2,3,3-hexamethoxybutoxymethyl)-1,3,5-triazine-2,4,6-triamine is COC(C)(OC)C(OC)(OC)C(OC)(OC)OCNc1nc(N)nc(N)n1.
What is the InChIKey of 2-N-(1,1,2,2,3,3-hexamethoxybutoxymethyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is DRNBBFVUAKEOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N6O7/c1-12(21-2,22-3)13(23-4,24-5)14(25-6,26-7)27-8-17-11-19-9(15)18-10(16)20-11/h8H2,1-7H3,(H5,15,16,17,18,19,20).
What are the key properties of 2-N-(1,1,2,2,3,3-hexamethoxybutoxymethyl)-1,3,5-triazine-2,4,6-triamine?
2-N-(1,1,2,2,3,3-hexamethoxybutoxymethyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 392.41 g/mol, XLogP of -0.63, 12 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1,1,2,2,3,3-hexamethoxybutoxymethyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 23212933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).