4-N-benzyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

C15H15F6N5O — CID 3259684

IUPAC4-N-benzyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(NCc2ccccc2)nc(OC(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C15H15F6N5O/c1-26(2)12-23-11(22-8-9-6-4-3-5-7-9)24-13(25-12)27-10(14(16,17)18)15(19,20)21/h3-7,10H,8H2,1-2H3,(H,22,23,24,25)
InChIKeyMNENQDCUTYOCFB-UHFFFAOYSA-N
MW395.31 g/mol
LogP3.42
Rot. Bonds6

About 4-N-benzyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

4-N-benzyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 3259684) has the molecular formula C15H15F6N5O and a molecular weight of 395.31 g/mol. Its IUPAC name is 4-N-benzyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-benzyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID3259684
Molecular FormulaC15H15F6N5O
Molecular Weight395.31 g/mol
Exact Mass395.12
IUPAC Name4-N-benzyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(NCc2ccccc2)nc(OC(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C15H15F6N5O/c1-26(2)12-23-11(22-8-9-6-4-3-5-7-9)24-13(25-12)27-10(14(16,17)18)15(19,20)21/h3-7,10H,8H2,1-2H3,(H,22,23,24,25)
InChIKeyMNENQDCUTYOCFB-UHFFFAOYSA-N
XLogP3.42
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.31
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-N-benzyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

N-Allyl-N'-benzyl-6-ethoxy-[1,3,5]triazine-2,4-diamine
CID 3121126
6-N-[3-(dimethylamino)propyl]-2-N,4-N-bis[[4-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4,6-triamine
CID 56647176
6-[3-(dimethylamino)propoxy]-2-N,4-N-bis[2-(4-fluorophenyl)ethyl]-1,3,5-triazine-2,4-diamine
CID 56647648
N-methyl-N'-[2-(trifluoromethyl)phenyl]-6-[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]-1,3,5-triazine-2,4-diamine
CID 3666489
1,3,5-Triazine, 2-benzylamino-4,6-bis(2,2,2-trifluoro-1-trifluoromethylethoxy)-
CID 571775
4,6-diethoxy-N-(2-phenylethyl)-1,3,5-triazin-2-amine
CID 11833066
N-benzyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 1069460
N-benzyl-4-(1-piperazinyl)-6-[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]-1,3,5-triazin-2-amine
CID 1114001
4-(4-benzylpiperazin-1-yl)-N-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 6617310
4-N,4-N-diethyl-6-morpholin-4-yl-2-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4-diamine
CID 117085131
2-N,2-N,6-N-triethyl-4-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4,6-triamine
CID 117090343
6-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-N-methyl-N'-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 3572318

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-benzyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 3259684) is 4-N-benzyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-benzyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-benzyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is CN(C)c1nc(NCc2ccccc2)nc(OC(C(F)(F)F)C(F)(F)F)n1.
What is the InChIKey of 4-N-benzyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is MNENQDCUTYOCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F6N5O/c1-26(2)12-23-11(22-8-9-6-4-3-5-7-9)24-13(25-12)27-10(14(16,17)18)15(19,20)21/h3-7,10H,8H2,1-2H3,(H,22,23,24,25).
What are the key properties of 4-N-benzyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
4-N-benzyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 395.31 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 3259684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).