2-N,2-N-dibenzyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine

C18H16F3N5 — CID 1248583

IUPAC2-N,2-N-dibenzyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N(Cc2ccccc2)Cc2ccccc2)nc(C(F)(F)F)n1
InChIInChI=1S/C18H16F3N5/c19-18(20,21)15-23-16(22)25-17(24-15)26(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H2,22,23,24,25)
InChIKeyYZCBLNSQBWYLOI-UHFFFAOYSA-N
MW359.36 g/mol
LogP3.68
Rot. Bonds5

About 2-N,2-N-dibenzyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine

2-N,2-N-dibenzyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 1248583) has the molecular formula C18H16F3N5 and a molecular weight of 359.36 g/mol. Its IUPAC name is 2-N,2-N-dibenzyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-dibenzyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
PubChem CID1248583
Molecular FormulaC18H16F3N5
Molecular Weight359.36 g/mol
Exact Mass359.14
IUPAC Name2-N,2-N-dibenzyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N(Cc2ccccc2)Cc2ccccc2)nc(C(F)(F)F)n1
InChIInChI=1S/C18H16F3N5/c19-18(20,21)15-23-16(22)25-17(24-15)26(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H2,22,23,24,25)
InChIKeyYZCBLNSQBWYLOI-UHFFFAOYSA-N
XLogP3.68
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.36
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dibenzyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N-dibenzyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine (CID 1248583) is 2-N,2-N-dibenzyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-dibenzyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N-dibenzyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine is Nc1nc(N(Cc2ccccc2)Cc2ccccc2)nc(C(F)(F)F)n1.
What is the InChIKey of 2-N,2-N-dibenzyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is YZCBLNSQBWYLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N5/c19-18(20,21)15-23-16(22)25-17(24-15)26(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H2,22,23,24,25).
What are the key properties of 2-N,2-N-dibenzyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine?
2-N,2-N-dibenzyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 359.36 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dibenzyl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 1248583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).