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

C13H26N6 — CID 744450

IUPAC4-N,6-N-ditert-butyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCN(C)c1nc(NC(C)(C)C)nc(NC(C)(C)C)n1
InChIInChI=1S/C13H26N6/c1-12(2,3)17-9-14-10(18-13(4,5)6)16-11(15-9)19(7)8/h1-8H3,(H2,14,15,16,17,18)
InChIKeyJMANMLWURWYTNZ-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.36
Rot. Bonds3

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

4-N,6-N-ditert-butyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 744450) has the molecular formula C13H26N6 and a molecular weight of 266.39 g/mol. Its IUPAC name is 4-N,6-N-ditert-butyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N,6-N-ditert-butyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
PubChem CID744450
Molecular FormulaC13H26N6
Molecular Weight266.39 g/mol
Exact Mass266.22
IUPAC Name4-N,6-N-ditert-butyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCN(C)c1nc(NC(C)(C)C)nc(NC(C)(C)C)n1
InChIInChI=1S/C13H26N6/c1-12(2,3)17-9-14-10(18-13(4,5)6)16-11(15-9)19(7)8/h1-8H3,(H2,14,15,16,17,18)
InChIKeyJMANMLWURWYTNZ-UHFFFAOYSA-N
XLogP2.36
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N,6-N-ditert-butyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N,6-N-ditert-butyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine (CID 744450) is 4-N,6-N-ditert-butyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N,6-N-ditert-butyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N,6-N-ditert-butyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine is CN(C)c1nc(NC(C)(C)C)nc(NC(C)(C)C)n1.
What is the InChIKey of 4-N,6-N-ditert-butyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is JMANMLWURWYTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N6/c1-12(2,3)17-9-14-10(18-13(4,5)6)16-11(15-9)19(7)8/h1-8H3,(H2,14,15,16,17,18).
What are the key properties of 4-N,6-N-ditert-butyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine?
4-N,6-N-ditert-butyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 266.39 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N-ditert-butyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 744450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).