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

C10H20N6O2 — CID 23206845

IUPAC2-N-(1-butoxy-2-methoxyethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCCCOC(COC)Nc1nc(N)nc(N)n1
InChIInChI=1S/C10H20N6O2/c1-3-4-5-18-7(6-17-2)13-10-15-8(11)14-9(12)16-10/h7H,3-6H2,1-2H3,(H5,11,12,13,14,15,16)
InChIKeyXOSUHGGOSYXNOF-UHFFFAOYSA-N
MW256.31 g/mol
LogP0.24
Rot. Bonds8

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

2-N-(1-butoxy-2-methoxyethyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 23206845) has the molecular formula C10H20N6O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-N-(1-butoxy-2-methoxyethyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-(1-butoxy-2-methoxyethyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID23206845
Molecular FormulaC10H20N6O2
Molecular Weight256.31 g/mol
Exact Mass256.16
IUPAC Name2-N-(1-butoxy-2-methoxyethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCCCOC(COC)Nc1nc(N)nc(N)n1
InChIInChI=1S/C10H20N6O2/c1-3-4-5-18-7(6-17-2)13-10-15-8(11)14-9(12)16-10/h7H,3-6H2,1-2H3,(H5,11,12,13,14,15,16)
InChIKeyXOSUHGGOSYXNOF-UHFFFAOYSA-N
XLogP0.24
TPSA121.20 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N-(1-butoxy-2-methoxyethyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-(1-butoxy-2-methoxyethyl)-1,3,5-triazine-2,4,6-triamine (CID 23206845) is 2-N-(1-butoxy-2-methoxyethyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-(1-butoxy-2-methoxyethyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-(1-butoxy-2-methoxyethyl)-1,3,5-triazine-2,4,6-triamine is CCCCOC(COC)Nc1nc(N)nc(N)n1.
What is the InChIKey of 2-N-(1-butoxy-2-methoxyethyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is XOSUHGGOSYXNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N6O2/c1-3-4-5-18-7(6-17-2)13-10-15-8(11)14-9(12)16-10/h7H,3-6H2,1-2H3,(H5,11,12,13,14,15,16).
What are the key properties of 2-N-(1-butoxy-2-methoxyethyl)-1,3,5-triazine-2,4,6-triamine?
2-N-(1-butoxy-2-methoxyethyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 256.31 g/mol, XLogP of 0.24, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-butoxy-2-methoxyethyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 23206845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).