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

C8H16N6O2 — CID 57251818

IUPAC2-N-(2-methoxybutoxy)-1,3,5-triazine-2,4,6-triamine
SMILESCCC(CONc1nc(N)nc(N)n1)OC
InChIInChI=1S/C8H16N6O2/c1-3-5(15-2)4-16-14-8-12-6(9)11-7(10)13-8/h5H,3-4H2,1-2H3,(H5,9,10,11,12,13,14)
InChIKeyCHEKAHCLBKVHIV-UHFFFAOYSA-N
MW228.26 g/mol
LogP-0.20
Rot. Bonds6

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

2-N-(2-methoxybutoxy)-1,3,5-triazine-2,4,6-triamine (PubChem CID 57251818) has the molecular formula C8H16N6O2 and a molecular weight of 228.26 g/mol. Its IUPAC name is 2-N-(2-methoxybutoxy)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-(2-methoxybutoxy)-1,3,5-triazine-2,4,6-triamine
PubChem CID57251818
Molecular FormulaC8H16N6O2
Molecular Weight228.26 g/mol
Exact Mass228.13
IUPAC Name2-N-(2-methoxybutoxy)-1,3,5-triazine-2,4,6-triamine
SMILESCCC(CONc1nc(N)nc(N)n1)OC
InChIInChI=1S/C8H16N6O2/c1-3-5(15-2)4-16-14-8-12-6(9)11-7(10)13-8/h5H,3-4H2,1-2H3,(H5,9,10,11,12,13,14)
InChIKeyCHEKAHCLBKVHIV-UHFFFAOYSA-N
XLogP-0.20
TPSA121.20 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,6-Dibutoxy-1,3,5-triazin-2-amine
CID 35317
2-N-butoxy-2-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 18695053
2-N-(1-methoxybutoxy)-1,3,5-triazine-2,4,6-triamine
CID 18947972
2-N-(2-methoxyethoxy)-1,3,5-triazine-2,4,6-triamine
CID 19427592
2-N-butoxy-2-N-(methoxymethyl)-1,3,5-triazine-2,4,6-triamine
CID 19877060
2-N-butoxy-4-N-methoxy-2-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 19960736
1-Butoxybutane;methoxymethane;1,3,5-triazine-2,4,6-triamine
CID 22641216
2-N-(butoxymethyl)-4-N-methoxy-2-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 54143277
2-N-butoxy-2-N-methoxy-1,3,5-triazine-2,4,6-triamine
CID 57010704
2-N-(4-methoxybutoxy)-1,3,5-triazine-2,4,6-triamine
CID 57264119
1-Methoxybutane;1,3,5-triazine-2,4,6-triamine
CID 70305563
2-N,4-N-dipentoxy-1,3,5-triazine-2,4,6-triamine
CID 88033018

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methoxybutoxy)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-(2-methoxybutoxy)-1,3,5-triazine-2,4,6-triamine (CID 57251818) is 2-N-(2-methoxybutoxy)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-(2-methoxybutoxy)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-(2-methoxybutoxy)-1,3,5-triazine-2,4,6-triamine is CCC(CONc1nc(N)nc(N)n1)OC.
What is the InChIKey of 2-N-(2-methoxybutoxy)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is CHEKAHCLBKVHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N6O2/c1-3-5(15-2)4-16-14-8-12-6(9)11-7(10)13-8/h5H,3-4H2,1-2H3,(H5,9,10,11,12,13,14).
What are the key properties of 2-N-(2-methoxybutoxy)-1,3,5-triazine-2,4,6-triamine?
2-N-(2-methoxybutoxy)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 228.26 g/mol, XLogP of -0.20, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methoxybutoxy)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 57251818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).