2-N-cyclohexyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-methyl-1,3,5-triazine-2,4-diamine

C13H17F6N5O — CID 3910720

IUPAC2-N-cyclohexyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(NC2CCCCC2)nc(OC(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C13H17F6N5O/c1-20-9-22-10(21-7-5-3-2-4-6-7)24-11(23-9)25-8(12(14,15)16)13(17,18)19/h7-8H,2-6H2,1H3,(H2,20,21,22,23,24)
InChIKeyQTJNWSIHUVPNLU-UHFFFAOYSA-N
MW373.30 g/mol
LogP3.53
Rot. Bonds5

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

2-N-cyclohexyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 3910720) has the molecular formula C13H17F6N5O and a molecular weight of 373.30 g/mol. Its IUPAC name is 2-N-cyclohexyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-cyclohexyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-methyl-1,3,5-triazine-2,4-diamine
PubChem CID3910720
Molecular FormulaC13H17F6N5O
Molecular Weight373.30 g/mol
Exact Mass373.13
IUPAC Name2-N-cyclohexyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(NC2CCCCC2)nc(OC(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C13H17F6N5O/c1-20-9-22-10(21-7-5-3-2-4-6-7)24-11(23-9)25-8(12(14,15)16)13(17,18)19/h7-8H,2-6H2,1H3,(H2,20,21,22,23,24)
InChIKeyQTJNWSIHUVPNLU-UHFFFAOYSA-N
XLogP3.53
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.30
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

1,3,5-Triazine, 4,6-bis(2,2,2-trifluoro-1-trifluoromethylethoxy)-2-propylamino-
CID 550627
N-tert-Butyl-N'-cyclohexyl-6-ethoxy-[1,3,5]triazine-2,4-diamine
CID 783139
[4,6-Bis-(2,2,2-trifluoro-1-trifluoromethyl-ethoxy)-[1,3,5]triazin-2-yl]-sec-butyl-amine
CID 3094334
N-cyclohexyl-4-morpholin-4-yl-6-[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]-1,3,5-triazin-2-amine
CID 3237373
N-(sec-butyl)-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 3241353
2-Ethylamino-4-piperidin-1-yl-6-(2,2,2-trifluoro-2-trifluoromethylethoxy)-[1,3,5]-triazine
CID 633000
N~2~-(sec-butyl)-N~4~,N~4~-diethyl-6-[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]-1,3,5-triazine-2,4-diamine
CID 3094636
N-cyclohexyl-4,6-diethoxy-1,3,5-triazin-2-amine
CID 838403
N-cyclohexyl-4,6-bis[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-1,3,5-triazin-2-amine
CID 550625
4,6-bis[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-N-pentyl-1,3,5-triazin-2-amine
CID 634924
N~2~-cyclohexyl-6-isopropoxy-N~4~-propyl-1,3,5-triazine-2,4-diamine
CID 3987340
4-(azepan-1-yl)-6-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-N-propyl-1,3,5-triazin-2-amine
CID 3251709

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclohexyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-cyclohexyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-methyl-1,3,5-triazine-2,4-diamine (CID 3910720) is 2-N-cyclohexyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-cyclohexyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-cyclohexyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-methyl-1,3,5-triazine-2,4-diamine is CNc1nc(NC2CCCCC2)nc(OC(C(F)(F)F)C(F)(F)F)n1.
What is the InChIKey of 2-N-cyclohexyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is QTJNWSIHUVPNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F6N5O/c1-20-9-22-10(21-7-5-3-2-4-6-7)24-11(23-9)25-8(12(14,15)16)13(17,18)19/h7-8H,2-6H2,1H3,(H2,20,21,22,23,24).
What are the key properties of 2-N-cyclohexyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-methyl-1,3,5-triazine-2,4-diamine?
2-N-cyclohexyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 373.30 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclohexyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 3910720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).