N-methyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine

C8H8F6N4O2 — CID 1375553

IUPACN-methyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
SMILESCNc1nc(OCC(F)(F)F)nc(OCC(F)(F)F)n1
InChIInChI=1S/C8H8F6N4O2/c1-15-4-16-5(19-2-7(9,10)11)18-6(17-4)20-3-8(12,13)14/h2-3H2,1H3,(H,15,16,17,18)
InChIKeyXOGXUQSXJBLFLK-UHFFFAOYSA-N
MW306.17 g/mol
LogP1.80
Rot. Bonds5

About N-methyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine

N-methyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine (PubChem CID 1375553) has the molecular formula C8H8F6N4O2 and a molecular weight of 306.17 g/mol. Its IUPAC name is N-methyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-methyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
PubChem CID1375553
Molecular FormulaC8H8F6N4O2
Molecular Weight306.17 g/mol
Exact Mass306.06
IUPAC NameN-methyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
SMILESCNc1nc(OCC(F)(F)F)nc(OCC(F)(F)F)n1
InChIInChI=1S/C8H8F6N4O2/c1-15-4-16-5(19-2-7(9,10)11)18-6(17-4)20-3-8(12,13)14/h2-3H2,1H3,(H,15,16,17,18)
InChIKeyXOGXUQSXJBLFLK-UHFFFAOYSA-N
XLogP1.80
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.17
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-methyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3,5-Triazine-2,4-diamine, N2,N2-dimethyl-6-(2,2,2-trifluoroethoxy)-
CID 10933513
Stk076603
CID 1375559
2-Amino-6-ethoxy-4-methylamino-1,3,5-triazine
CID 693795
N-Methyl-6-[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]-1,3,5-triazine-2,4-diamine
CID 625950
1,3,5-Triazine, 4,6-bis(2,2,2-trifluoro-1-trifluoromethylethoxy)-2-propylamino-
CID 550627
N-propyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 2267441
s-Triazine-1,3,5-triamine, N,N',N''-tris(ethoxymethyl)-
CID 3057112
N-(sec-butyl)-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 3241353
4,6-Bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 1375552
N-Ethyl-4,6-bis[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]-1,3,5-triazin-2-amine
CID 549848
1,3,5-Triazin-2-amine, 4,6-bis(2,2,2-trifluoro-1-trifluoromethylethoxy)-N-methyl-
CID 550369
[4,6-Bis-(2,2,2-trifluoro-ethoxy)-[1,3,5]triazin-2-yl]-butyl-amine
CID 627767

Frequently Asked Questions

What is the IUPAC name of N-methyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
The IUPAC name of N-methyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine (CID 1375553) is N-methyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-methyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for N-methyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine is CNc1nc(OCC(F)(F)F)nc(OCC(F)(F)F)n1.
What is the InChIKey of N-methyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
The InChIKey is XOGXUQSXJBLFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F6N4O2/c1-15-4-16-5(19-2-7(9,10)11)18-6(17-4)20-3-8(12,13)14/h2-3H2,1H3,(H,15,16,17,18).
What are the key properties of N-methyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
N-methyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine has a molecular weight of 306.17 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 1375553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).