N,N'-bis(4,6-dimethyl-1,3,5-triazin-2-yl)ethane-1,2-diamine

C12H18N8 — CID 21303874

IUPACN,N'-bis(4,6-dimethyl-1,3,5-triazin-2-yl)ethane-1,2-diamine
SMILESCc1nc(C)nc(NCCNc2nc(C)nc(C)n2)n1
InChIInChI=1S/C12H18N8/c1-7-15-8(2)18-11(17-7)13-5-6-14-12-19-9(3)16-10(4)20-12/h5-6H2,1-4H3,(H,13,15,17,18)(H,14,16,19,20)
InChIKeyOXUQFVRKMFEAAZ-UHFFFAOYSA-N
MW274.33 g/mol
LogP0.81
Rot. Bonds5

About N,N'-bis(4,6-dimethyl-1,3,5-triazin-2-yl)ethane-1,2-diamine

N,N'-bis(4,6-dimethyl-1,3,5-triazin-2-yl)ethane-1,2-diamine (PubChem CID 21303874) has the molecular formula C12H18N8 and a molecular weight of 274.33 g/mol. Its IUPAC name is N,N'-bis(4,6-dimethyl-1,3,5-triazin-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-bis(4,6-dimethyl-1,3,5-triazin-2-yl)ethane-1,2-diamine
PubChem CID21303874
Molecular FormulaC12H18N8
Molecular Weight274.33 g/mol
Exact Mass274.17
IUPAC NameN,N'-bis(4,6-dimethyl-1,3,5-triazin-2-yl)ethane-1,2-diamine
SMILESCc1nc(C)nc(NCCNc2nc(C)nc(C)n2)n1
InChIInChI=1S/C12H18N8/c1-7-15-8(2)18-11(17-7)13-5-6-14-12-19-9(3)16-10(4)20-12/h5-6H2,1-4H3,(H,13,15,17,18)(H,14,16,19,20)
InChIKeyOXUQFVRKMFEAAZ-UHFFFAOYSA-N
XLogP0.81
TPSA101.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(4,6-dimethyl-1,3,5-triazin-2-yl)ethane-1,2-diamine?
The IUPAC name of N,N'-bis(4,6-dimethyl-1,3,5-triazin-2-yl)ethane-1,2-diamine (CID 21303874) is N,N'-bis(4,6-dimethyl-1,3,5-triazin-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N'-bis(4,6-dimethyl-1,3,5-triazin-2-yl)ethane-1,2-diamine?
The canonical SMILES for N,N'-bis(4,6-dimethyl-1,3,5-triazin-2-yl)ethane-1,2-diamine is Cc1nc(C)nc(NCCNc2nc(C)nc(C)n2)n1.
What is the InChIKey of N,N'-bis(4,6-dimethyl-1,3,5-triazin-2-yl)ethane-1,2-diamine?
The InChIKey is OXUQFVRKMFEAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N8/c1-7-15-8(2)18-11(17-7)13-5-6-14-12-19-9(3)16-10(4)20-12/h5-6H2,1-4H3,(H,13,15,17,18)(H,14,16,19,20).
What are the key properties of N,N'-bis(4,6-dimethyl-1,3,5-triazin-2-yl)ethane-1,2-diamine?
N,N'-bis(4,6-dimethyl-1,3,5-triazin-2-yl)ethane-1,2-diamine has a molecular weight of 274.33 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(4,6-dimethyl-1,3,5-triazin-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 21303874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).