2-N-tert-butyl-4-N-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine

C10H16F3N5O — CID 879069

IUPAC2-N-tert-butyl-4-N-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(NC(C)(C)C)nc(OCC(F)(F)F)n1
InChIInChI=1S/C10H16F3N5O/c1-9(2,3)18-7-15-6(14-4)16-8(17-7)19-5-10(11,12)13/h5H2,1-4H3,(H2,14,15,16,17,18)
InChIKeySFQUFOFMCXBDJX-UHFFFAOYSA-N
MW279.27 g/mol
LogP2.06
Rot. Bonds4

About 2-N-tert-butyl-4-N-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine

2-N-tert-butyl-4-N-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine (PubChem CID 879069) has the molecular formula C10H16F3N5O and a molecular weight of 279.27 g/mol. Its IUPAC name is 2-N-tert-butyl-4-N-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-tert-butyl-4-N-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
PubChem CID879069
Molecular FormulaC10H16F3N5O
Molecular Weight279.27 g/mol
Exact Mass279.13
IUPAC Name2-N-tert-butyl-4-N-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(NC(C)(C)C)nc(OCC(F)(F)F)n1
InChIInChI=1S/C10H16F3N5O/c1-9(2,3)18-7-15-6(14-4)16-8(17-7)19-5-10(11,12)13/h5H2,1-4H3,(H2,14,15,16,17,18)
InChIKeySFQUFOFMCXBDJX-UHFFFAOYSA-N
XLogP2.06
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.27
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N-tert-butyl-4-N-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

Terbumeton
CID 36584
6-ethoxy-N2-ethyl-N4-(propan-2-yl)-1,3,5-triazine-2,4-diamine
CID 779529
[4,6-Bis-(2,2,2-trifluoro-ethoxy)-[1,3,5]triazin-2-yl]-tert-butyl-amine
CID 630512
N-propyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 2267441
[4,6-Bis-(2,2,2-trifluoro-1-trifluoromethyl-ethoxy)-[1,3,5]triazin-2-yl]-sec-butyl-amine
CID 3094334
N-(sec-butyl)-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 3241353
6-Ethoxy-N,N'-diisopropyl-[1,3,5]triazine-2,4-diamine
CID 35306
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-Ethyl-4,6-bis[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]-1,3,5-triazin-2-amine
CID 549848
2-Butoxy-4,6-bis(ethylamino)-S-triazine
CID 35115
[4,6-Bis-(2,2,2-trifluoro-ethoxy)-[1,3,5]triazin-2-yl]-butyl-amine
CID 627767
1,3,5-Triazine, 4,6-bis(2,2,2-trifluoro-1-trifluoromethylethoxy)-2-isopropylamino-
CID 635146

Frequently Asked Questions

What is the IUPAC name of 2-N-tert-butyl-4-N-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-tert-butyl-4-N-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine (CID 879069) is 2-N-tert-butyl-4-N-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-tert-butyl-4-N-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-tert-butyl-4-N-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine is CNc1nc(NC(C)(C)C)nc(OCC(F)(F)F)n1.
What is the InChIKey of 2-N-tert-butyl-4-N-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine?
The InChIKey is SFQUFOFMCXBDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N5O/c1-9(2,3)18-7-15-6(14-4)16-8(17-7)19-5-10(11,12)13/h5H2,1-4H3,(H2,14,15,16,17,18).
What are the key properties of 2-N-tert-butyl-4-N-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine?
2-N-tert-butyl-4-N-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine has a molecular weight of 279.27 g/mol, XLogP of 2.06, 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-methyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 879069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).