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

C19H19F3N6 — CID 172842387

IUPAC2-N-tert-butyl-4-N-phenyl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
SMILESCC(C)(C)Nc1nc(Nc2ccccc2)nc(-c2cccc(C(F)(F)F)n2)n1
InChIInChI=1S/C19H19F3N6/c1-18(2,3)28-17-26-15(13-10-7-11-14(24-13)19(20,21)22)25-16(27-17)23-12-8-5-4-6-9-12/h4-11H,1-3H3,(H2,23,25,26,27,28)
InChIKeyWYTLARPIMXEMBT-UHFFFAOYSA-N
MW388.40 g/mol
LogP4.91
Rot. Bonds4

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

2-N-tert-butyl-4-N-phenyl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine (PubChem CID 172842387) has the molecular formula C19H19F3N6 and a molecular weight of 388.40 g/mol. Its IUPAC name is 2-N-tert-butyl-4-N-phenyl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-tert-butyl-4-N-phenyl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
PubChem CID172842387
Molecular FormulaC19H19F3N6
Molecular Weight388.40 g/mol
Exact Mass388.16
IUPAC Name2-N-tert-butyl-4-N-phenyl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
SMILESCC(C)(C)Nc1nc(Nc2ccccc2)nc(-c2cccc(C(F)(F)F)n2)n1
InChIInChI=1S/C19H19F3N6/c1-18(2,3)28-17-26-15(13-10-7-11-14(24-13)19(20,21)22)25-16(27-17)23-12-8-5-4-6-9-12/h4-11H,1-3H3,(H2,23,25,26,27,28)
InChIKeyWYTLARPIMXEMBT-UHFFFAOYSA-N
XLogP4.91
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-tert-butyl-4-N-phenyl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-tert-butyl-4-N-phenyl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine (CID 172842387) is 2-N-tert-butyl-4-N-phenyl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-tert-butyl-4-N-phenyl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-tert-butyl-4-N-phenyl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine is CC(C)(C)Nc1nc(Nc2ccccc2)nc(-c2cccc(C(F)(F)F)n2)n1.
What is the InChIKey of 2-N-tert-butyl-4-N-phenyl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is WYTLARPIMXEMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N6/c1-18(2,3)28-17-26-15(13-10-7-11-14(24-13)19(20,21)22)25-16(27-17)23-12-8-5-4-6-9-12/h4-11H,1-3H3,(H2,23,25,26,27,28).
What are the key properties of 2-N-tert-butyl-4-N-phenyl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine?
2-N-tert-butyl-4-N-phenyl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 388.40 g/mol, XLogP of 4.91, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-tert-butyl-4-N-phenyl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 172842387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).