4-methoxy-N-methyl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine

C9H13F3N4O2 — CID 82794430

IUPAC4-methoxy-N-methyl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine
SMILESCNc1nc(OC)nc(OCCCC(F)(F)F)n1
InChIInChI=1S/C9H13F3N4O2/c1-13-6-14-7(17-2)16-8(15-6)18-5-3-4-9(10,11)12/h3-5H2,1-2H3,(H,13,14,15,16)
InChIKeyAZBQNGXJMNXDGL-UHFFFAOYSA-N
MW266.22 g/mol
LogP1.64
Rot. Bonds6

About 4-methoxy-N-methyl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine

4-methoxy-N-methyl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine (PubChem CID 82794430) has the molecular formula C9H13F3N4O2 and a molecular weight of 266.22 g/mol. Its IUPAC name is 4-methoxy-N-methyl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methoxy-N-methyl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine
PubChem CID82794430
Molecular FormulaC9H13F3N4O2
Molecular Weight266.22 g/mol
Exact Mass266.10
IUPAC Name4-methoxy-N-methyl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine
SMILESCNc1nc(OC)nc(OCCCC(F)(F)F)n1
InChIInChI=1S/C9H13F3N4O2/c1-13-6-14-7(17-2)16-8(15-6)18-5-3-4-9(10,11)12/h3-5H2,1-2H3,(H,13,14,15,16)
InChIKeyAZBQNGXJMNXDGL-UHFFFAOYSA-N
XLogP1.64
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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
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
N-methyl-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 1375553
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
1,3,5-Triazin-2-amine, 4-methoxy-6-(2,2,2-trifluoroethoxy)-
CID 180958
2-Amino-4-ethoxy-6-trifluoromethoxy-1,3,5-triazine
CID 15010395

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine?
The IUPAC name of 4-methoxy-N-methyl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine (CID 82794430) is 4-methoxy-N-methyl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methoxy-N-methyl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methoxy-N-methyl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine is CNc1nc(OC)nc(OCCCC(F)(F)F)n1.
What is the InChIKey of 4-methoxy-N-methyl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine?
The InChIKey is AZBQNGXJMNXDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O2/c1-13-6-14-7(17-2)16-8(15-6)18-5-3-4-9(10,11)12/h3-5H2,1-2H3,(H,13,14,15,16).
What are the key properties of 4-methoxy-N-methyl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine?
4-methoxy-N-methyl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine has a molecular weight of 266.22 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 82794430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).