2-N-[dimethoxy(1,1,2,2-tetramethoxybutoxy)methyl]-1,3,5-triazine-2,4,6-triamine

C14H28N6O7 — CID 56613393

IUPAC2-N-[dimethoxy(1,1,2,2-tetramethoxybutoxy)methyl]-1,3,5-triazine-2,4,6-triamine
SMILESCCC(OC)(OC)C(OC)(OC)OC(Nc1nc(N)nc(N)n1)(OC)OC
InChIInChI=1S/C14H28N6O7/c1-8-12(21-2,22-3)13(23-4,24-5)27-14(25-6,26-7)20-11-18-9(15)17-10(16)19-11/h8H2,1-7H3,(H5,15,16,17,18,19,20)
InChIKeyYWZJCSNYOQHOIO-UHFFFAOYSA-N
MW392.41 g/mol
LogP-0.29
Rot. Bonds12

About 2-N-[dimethoxy(1,1,2,2-tetramethoxybutoxy)methyl]-1,3,5-triazine-2,4,6-triamine

2-N-[dimethoxy(1,1,2,2-tetramethoxybutoxy)methyl]-1,3,5-triazine-2,4,6-triamine (PubChem CID 56613393) has the molecular formula C14H28N6O7 and a molecular weight of 392.41 g/mol. Its IUPAC name is 2-N-[dimethoxy(1,1,2,2-tetramethoxybutoxy)methyl]-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-[dimethoxy(1,1,2,2-tetramethoxybutoxy)methyl]-1,3,5-triazine-2,4,6-triamine
PubChem CID56613393
Molecular FormulaC14H28N6O7
Molecular Weight392.41 g/mol
Exact Mass392.20
IUPAC Name2-N-[dimethoxy(1,1,2,2-tetramethoxybutoxy)methyl]-1,3,5-triazine-2,4,6-triamine
SMILESCCC(OC)(OC)C(OC)(OC)OC(Nc1nc(N)nc(N)n1)(OC)OC
InChIInChI=1S/C14H28N6O7/c1-8-12(21-2,22-3)13(23-4,24-5)27-14(25-6,26-7)20-11-18-9(15)17-10(16)19-11/h8H2,1-7H3,(H5,15,16,17,18,19,20)
InChIKeyYWZJCSNYOQHOIO-UHFFFAOYSA-N
XLogP-0.29
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 ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,2,3,3-Hexamethoxybutan-1-ol;1,3,5-triazine-2,4,6-triamine
CID 19767300
2-N-(triethoxymethyl)-1,3,5-triazine-2,4,6-triamine
CID 20074280
2-N-(1,1,2,2,3,3-hexamethoxybutoxy)-2-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 20488472
2-N-(tripropoxymethyl)-1,3,5-triazine-2,4,6-triamine
CID 22904190
2-N-(1,1,2,2,3,3-hexamethoxybutoxymethyl)-1,3,5-triazine-2,4,6-triamine
CID 23212933
2-N-[butoxy(methoxy)methyl]-1,3,5-triazine-2,4,6-triamine
CID 53765369
2-N-(tributoxymethyl)-1,3,5-triazine-2,4,6-triamine
CID 53773947
2-N-(dibutoxymethyl)-1,3,5-triazine-2,4,6-triamine
CID 53844699
Butoxy-[(4,6-diamino-1,3,5-triazin-2-yl)amino]-methoxymethanol
CID 54125214
2-N-(tributoxymethyl)-2-N-(trimethoxymethyl)-1,3,5-triazine-2,4,6-triamine
CID 54490419
6-diazenyl-2-N-(tributoxymethyl)-1,3,5-triazine-2,4-diamine
CID 69567489
2-N-[tris(4-methoxybutoxy)methyl]-1,3,5-triazine-2,4,6-triamine
CID 69588895

Frequently Asked Questions

What is the IUPAC name of 2-N-[dimethoxy(1,1,2,2-tetramethoxybutoxy)methyl]-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-[dimethoxy(1,1,2,2-tetramethoxybutoxy)methyl]-1,3,5-triazine-2,4,6-triamine (CID 56613393) is 2-N-[dimethoxy(1,1,2,2-tetramethoxybutoxy)methyl]-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-[dimethoxy(1,1,2,2-tetramethoxybutoxy)methyl]-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-[dimethoxy(1,1,2,2-tetramethoxybutoxy)methyl]-1,3,5-triazine-2,4,6-triamine is CCC(OC)(OC)C(OC)(OC)OC(Nc1nc(N)nc(N)n1)(OC)OC.
What is the InChIKey of 2-N-[dimethoxy(1,1,2,2-tetramethoxybutoxy)methyl]-1,3,5-triazine-2,4,6-triamine?
The InChIKey is YWZJCSNYOQHOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N6O7/c1-8-12(21-2,22-3)13(23-4,24-5)27-14(25-6,26-7)20-11-18-9(15)17-10(16)19-11/h8H2,1-7H3,(H5,15,16,17,18,19,20).
What are the key properties of 2-N-[dimethoxy(1,1,2,2-tetramethoxybutoxy)methyl]-1,3,5-triazine-2,4,6-triamine?
2-N-[dimethoxy(1,1,2,2-tetramethoxybutoxy)methyl]-1,3,5-triazine-2,4,6-triamine has a molecular weight of 392.41 g/mol, XLogP of -0.29, 12 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[dimethoxy(1,1,2,2-tetramethoxybutoxy)methyl]-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 56613393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).