4-ethoxy-N-methyl-6-(trifluoromethoxy)-1,3,5-triazin-2-amine

C7H9F3N4O2 — CID 19777647

IUPAC4-ethoxy-N-methyl-6-(trifluoromethoxy)-1,3,5-triazin-2-amine
SMILESCCOc1nc(NC)nc(OC(F)(F)F)n1
InChIInChI=1S/C7H9F3N4O2/c1-3-15-5-12-4(11-2)13-6(14-5)16-7(8,9)10/h3H2,1-2H3,(H,11,12,13,14)
InChIKeyNXXQWLWMFWLYAK-UHFFFAOYSA-N
MW238.17 g/mol
LogP1.21
Rot. Bonds4

About 4-ethoxy-N-methyl-6-(trifluoromethoxy)-1,3,5-triazin-2-amine

4-ethoxy-N-methyl-6-(trifluoromethoxy)-1,3,5-triazin-2-amine (PubChem CID 19777647) has the molecular formula C7H9F3N4O2 and a molecular weight of 238.17 g/mol. Its IUPAC name is 4-ethoxy-N-methyl-6-(trifluoromethoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-ethoxy-N-methyl-6-(trifluoromethoxy)-1,3,5-triazin-2-amine
PubChem CID19777647
Molecular FormulaC7H9F3N4O2
Molecular Weight238.17 g/mol
Exact Mass238.07
IUPAC Name4-ethoxy-N-methyl-6-(trifluoromethoxy)-1,3,5-triazin-2-amine
SMILESCCOc1nc(NC)nc(OC(F)(F)F)n1
InChIInChI=1S/C7H9F3N4O2/c1-3-15-5-12-4(11-2)13-6(14-5)16-7(8,9)10/h3H2,1-2H3,(H,11,12,13,14)
InChIKeyNXXQWLWMFWLYAK-UHFFFAOYSA-N
XLogP1.21
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.17
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,3,5-Triazine-2,4-diamine, N2,N2-dimethyl-6-(2,2,2-trifluoroethoxy)-
CID 10933513
Stk076603
CID 1375559
6-(2,2,2-Trifluoroethoxy)-1,3,5-triazine-2,4-diamine
CID 139595246
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
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
4,6-Bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 1375552
N-methyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 1375553
1,3,5-Triazin-2-amine, 4,6-bis(2,2,2-trifluoro-1-trifluoromethylethoxy)-N-methyl-
CID 550369
1,3,5-Triazin-2-amine, 4-methoxy-6-(2,2,2-trifluoroethoxy)-
CID 180958
2-N,4-N-dimethyl-6-(trifluoromethoxy)-1,3,5-triazine-2,4-diamine
CID 15010389

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-methyl-6-(trifluoromethoxy)-1,3,5-triazin-2-amine?
The IUPAC name of 4-ethoxy-N-methyl-6-(trifluoromethoxy)-1,3,5-triazin-2-amine (CID 19777647) is 4-ethoxy-N-methyl-6-(trifluoromethoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-ethoxy-N-methyl-6-(trifluoromethoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-ethoxy-N-methyl-6-(trifluoromethoxy)-1,3,5-triazin-2-amine is CCOc1nc(NC)nc(OC(F)(F)F)n1.
What is the InChIKey of 4-ethoxy-N-methyl-6-(trifluoromethoxy)-1,3,5-triazin-2-amine?
The InChIKey is NXXQWLWMFWLYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4O2/c1-3-15-5-12-4(11-2)13-6(14-5)16-7(8,9)10/h3H2,1-2H3,(H,11,12,13,14).
What are the key properties of 4-ethoxy-N-methyl-6-(trifluoromethoxy)-1,3,5-triazin-2-amine?
4-ethoxy-N-methyl-6-(trifluoromethoxy)-1,3,5-triazin-2-amine has a molecular weight of 238.17 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-methyl-6-(trifluoromethoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 19777647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).