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

C10H16F3N5 — CID 112746495

IUPAC2-N-hexan-2-yl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
SMILESCCCCC(C)Nc1nc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C10H16F3N5/c1-3-4-5-6(2)15-9-17-7(10(11,12)13)16-8(14)18-9/h6H,3-5H2,1-2H3,(H3,14,15,16,17,18)
InChIKeyGZQAHDIVVGUWIW-UHFFFAOYSA-N
MW263.27 g/mol
LogP2.46
Rot. Bonds5

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

2-N-hexan-2-yl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 112746495) has the molecular formula C10H16F3N5 and a molecular weight of 263.27 g/mol. Its IUPAC name is 2-N-hexan-2-yl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-hexan-2-yl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
PubChem CID112746495
Molecular FormulaC10H16F3N5
Molecular Weight263.27 g/mol
Exact Mass263.14
IUPAC Name2-N-hexan-2-yl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
SMILESCCCCC(C)Nc1nc(N)nc(C(F)(F)F)n1
InChIInChI=1S/C10H16F3N5/c1-3-4-5-6(2)15-9-17-7(10(11,12)13)16-8(14)18-9/h6H,3-5H2,1-2H3,(H3,14,15,16,17,18)
InChIKeyGZQAHDIVVGUWIW-UHFFFAOYSA-N
XLogP2.46
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-hexan-2-yl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304897
6-ethoxy-2-N-octan-2-yl-1,3,5-triazine-2,4-diamine
CID 80801244
2-N-octan-2-yl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80800093
4-N-hexan-2-yl-6-hydrazinylpyrimidine-2,4-diamine
CID 80907899
6-(2-fluoropropan-2-yl)-2-N-pentan-3-yl-1,3,5-triazine-2,4-diamine
CID 18769869
2-N-heptan-2-yl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 80781816
2-N,4-N-di(propan-2-yl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
CID 67989157
6-tert-butyl-2-N-hexan-3-yl-1,3,5-triazine-2,4-diamine
CID 112746179
2-N-methyl-2-N-pentan-2-yl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
CID 112746486
2-N-[1-(3,5-dimethylphenoxy)butan-2-yl]-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
CID 10915243
6-(2-fluoropropan-2-yl)-2-N-(4-pyridin-2-ylbutan-2-yl)-1,3,5-triazine-2,4-diamine
CID 20682190
4-chloro-N-(1-phenylpentan-3-yl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine;2-N-(1-phenylpentan-3-yl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
CID 169424124

Frequently Asked Questions

What is the IUPAC name of 2-N-hexan-2-yl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-hexan-2-yl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine (CID 112746495) is 2-N-hexan-2-yl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-hexan-2-yl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-hexan-2-yl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine is CCCCC(C)Nc1nc(N)nc(C(F)(F)F)n1.
What is the InChIKey of 2-N-hexan-2-yl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is GZQAHDIVVGUWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N5/c1-3-4-5-6(2)15-9-17-7(10(11,12)13)16-8(14)18-9/h6H,3-5H2,1-2H3,(H3,14,15,16,17,18).
What are the key properties of 2-N-hexan-2-yl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine?
2-N-hexan-2-yl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 263.27 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-hexan-2-yl-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 112746495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).