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

C17H19F3N6 — CID 90466412

IUPAC2-N,4-N-di(cyclobutyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
SMILESFC(F)(F)c1cccc(-c2nc(NC3CCC3)nc(NC3CCC3)n2)n1
InChIInChI=1S/C17H19F3N6/c18-17(19,20)13-9-3-8-12(23-13)14-24-15(21-10-4-1-5-10)26-16(25-14)22-11-6-2-7-11/h3,8-11H,1-2,4-7H2,(H2,21,22,24,25,26)
InChIKeyPVIJXHIYMYVGOF-UHFFFAOYSA-N
MW364.38 g/mol
LogP3.88
Rot. Bonds5

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

2-N,4-N-di(cyclobutyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine (PubChem CID 90466412) has the molecular formula C17H19F3N6 and a molecular weight of 364.38 g/mol. Its IUPAC name is 2-N,4-N-di(cyclobutyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-di(cyclobutyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
PubChem CID90466412
Molecular FormulaC17H19F3N6
Molecular Weight364.38 g/mol
Exact Mass364.16
IUPAC Name2-N,4-N-di(cyclobutyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
SMILESFC(F)(F)c1cccc(-c2nc(NC3CCC3)nc(NC3CCC3)n2)n1
InChIInChI=1S/C17H19F3N6/c18-17(19,20)13-9-3-8-12(23-13)14-24-15(21-10-4-1-5-10)26-16(25-14)22-11-6-2-7-11/h3,8-11H,1-2,4-7H2,(H2,21,22,24,25,26)
InChIKeyPVIJXHIYMYVGOF-UHFFFAOYSA-N
XLogP3.88
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 53.88
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-di(cyclobutyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-di(cyclobutyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine (CID 90466412) is 2-N,4-N-di(cyclobutyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-di(cyclobutyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-di(cyclobutyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine is FC(F)(F)c1cccc(-c2nc(NC3CCC3)nc(NC3CCC3)n2)n1.
What is the InChIKey of 2-N,4-N-di(cyclobutyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is PVIJXHIYMYVGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N6/c18-17(19,20)13-9-3-8-12(23-13)14-24-15(21-10-4-1-5-10)26-16(25-14)22-11-6-2-7-11/h3,8-11H,1-2,4-7H2,(H2,21,22,24,25,26).
What are the key properties of 2-N,4-N-di(cyclobutyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine?
2-N,4-N-di(cyclobutyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 364.38 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-di(cyclobutyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 90466412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).