2-N,4-N-ditert-butyl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine

C17H23F3N6 — CID 90466272

IUPAC2-N,4-N-ditert-butyl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
SMILESCC(C)(C)Nc1nc(NC(C)(C)C)nc(-c2cccc(C(F)(F)F)n2)n1
InChIInChI=1S/C17H23F3N6/c1-15(2,3)25-13-22-12(23-14(24-13)26-16(4,5)6)10-8-7-9-11(21-10)17(18,19)20/h7-9H,1-6H3,(H2,22,23,24,25,26)
InChIKeyGSAWFHLLQMRJAD-UHFFFAOYSA-N
MW368.41 g/mol
LogP4.37
Rot. Bonds3

About 2-N,4-N-ditert-butyl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine

2-N,4-N-ditert-butyl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine (PubChem CID 90466272) has the molecular formula C17H23F3N6 and a molecular weight of 368.41 g/mol. Its IUPAC name is 2-N,4-N-ditert-butyl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-ditert-butyl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
PubChem CID90466272
Molecular FormulaC17H23F3N6
Molecular Weight368.41 g/mol
Exact Mass368.19
IUPAC Name2-N,4-N-ditert-butyl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
SMILESCC(C)(C)Nc1nc(NC(C)(C)C)nc(-c2cccc(C(F)(F)F)n2)n1
InChIInChI=1S/C17H23F3N6/c1-15(2,3)25-13-22-12(23-14(24-13)26-16(4,5)6)10-8-7-9-11(21-10)17(18,19)20/h7-9H,1-6H3,(H2,22,23,24,25,26)
InChIKeyGSAWFHLLQMRJAD-UHFFFAOYSA-N
XLogP4.37
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-ditert-butyl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-ditert-butyl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine (CID 90466272) is 2-N,4-N-ditert-butyl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-ditert-butyl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-ditert-butyl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine is CC(C)(C)Nc1nc(NC(C)(C)C)nc(-c2cccc(C(F)(F)F)n2)n1.
What is the InChIKey of 2-N,4-N-ditert-butyl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is GSAWFHLLQMRJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N6/c1-15(2,3)25-13-22-12(23-14(24-13)26-16(4,5)6)10-8-7-9-11(21-10)17(18,19)20/h7-9H,1-6H3,(H2,22,23,24,25,26).
What are the key properties of 2-N,4-N-ditert-butyl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine?
2-N,4-N-ditert-butyl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 368.41 g/mol, XLogP of 4.37, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-ditert-butyl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 90466272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).