2-N-butyl-2-N-methoxy-1,3,5-triazine-2,4,6-triamine

C8H16N6O — CID 11148548

IUPAC2-N-butyl-2-N-methoxy-1,3,5-triazine-2,4,6-triamine
SMILESCCCCN(OC)c1nc(N)nc(N)n1
InChIInChI=1S/C8H16N6O/c1-3-4-5-14(15-2)8-12-6(9)11-7(10)13-8/h3-5H2,1-2H3,(H4,9,10,11,12,13)
InChIKeyABEXVWYZIVGOCS-UHFFFAOYSA-N
MW212.26 g/mol
LogP0.20
Rot. Bonds5

About 2-N-butyl-2-N-methoxy-1,3,5-triazine-2,4,6-triamine

2-N-butyl-2-N-methoxy-1,3,5-triazine-2,4,6-triamine (PubChem CID 11148548) has the molecular formula C8H16N6O and a molecular weight of 212.26 g/mol. Its IUPAC name is 2-N-butyl-2-N-methoxy-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-butyl-2-N-methoxy-1,3,5-triazine-2,4,6-triamine
PubChem CID11148548
Molecular FormulaC8H16N6O
Molecular Weight212.26 g/mol
Exact Mass212.14
IUPAC Name2-N-butyl-2-N-methoxy-1,3,5-triazine-2,4,6-triamine
SMILESCCCCN(OC)c1nc(N)nc(N)n1
InChIInChI=1S/C8H16N6O/c1-3-4-5-14(15-2)8-12-6(9)11-7(10)13-8/h3-5H2,1-2H3,(H4,9,10,11,12,13)
InChIKeyABEXVWYZIVGOCS-UHFFFAOYSA-N
XLogP0.20
TPSA103.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-N-butyl-2-N-methoxy-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

Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-2-N-methoxy-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-butyl-2-N-methoxy-1,3,5-triazine-2,4,6-triamine (CID 11148548) is 2-N-butyl-2-N-methoxy-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-butyl-2-N-methoxy-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-butyl-2-N-methoxy-1,3,5-triazine-2,4,6-triamine is CCCCN(OC)c1nc(N)nc(N)n1.
What is the InChIKey of 2-N-butyl-2-N-methoxy-1,3,5-triazine-2,4,6-triamine?
The InChIKey is ABEXVWYZIVGOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N6O/c1-3-4-5-14(15-2)8-12-6(9)11-7(10)13-8/h3-5H2,1-2H3,(H4,9,10,11,12,13).
What are the key properties of 2-N-butyl-2-N-methoxy-1,3,5-triazine-2,4,6-triamine?
2-N-butyl-2-N-methoxy-1,3,5-triazine-2,4,6-triamine has a molecular weight of 212.26 g/mol, XLogP of 0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butyl-2-N-methoxy-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 11148548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).