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

C14H28N6O — CID 150343375

IUPAC2-N-(decoxymethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCCCCCCCCCOCNc1nc(N)nc(N)n1
InChIInChI=1S/C14H28N6O/c1-2-3-4-5-6-7-8-9-10-21-11-17-14-19-12(15)18-13(16)20-14/h2-11H2,1H3,(H5,15,16,17,18,19,20)
InChIKeyGSEIBOJVGNQDRQ-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.56
Rot. Bonds12

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

2-N-(decoxymethyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 150343375) has the molecular formula C14H28N6O and a molecular weight of 296.42 g/mol. Its IUPAC name is 2-N-(decoxymethyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-(decoxymethyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID150343375
Molecular FormulaC14H28N6O
Molecular Weight296.42 g/mol
Exact Mass296.23
IUPAC Name2-N-(decoxymethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCCCCCCCCCOCNc1nc(N)nc(N)n1
InChIInChI=1S/C14H28N6O/c1-2-3-4-5-6-7-8-9-10-21-11-17-14-19-12(15)18-13(16)20-14/h2-11H2,1H3,(H5,15,16,17,18,19,20)
InChIKeyGSEIBOJVGNQDRQ-UHFFFAOYSA-N
XLogP2.56
TPSA111.97 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-N-(decoxymethyl)-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-(decoxymethyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-(decoxymethyl)-1,3,5-triazine-2,4,6-triamine (CID 150343375) is 2-N-(decoxymethyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-(decoxymethyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-(decoxymethyl)-1,3,5-triazine-2,4,6-triamine is CCCCCCCCCCOCNc1nc(N)nc(N)n1.
What is the InChIKey of 2-N-(decoxymethyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is GSEIBOJVGNQDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N6O/c1-2-3-4-5-6-7-8-9-10-21-11-17-14-19-12(15)18-13(16)20-14/h2-11H2,1H3,(H5,15,16,17,18,19,20).
What are the key properties of 2-N-(decoxymethyl)-1,3,5-triazine-2,4,6-triamine?
2-N-(decoxymethyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 296.42 g/mol, XLogP of 2.56, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(decoxymethyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 150343375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).