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

C14H12F6N4O3 — CID 126478513

IUPACN-(4-methoxyphenyl)-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
SMILESCOc1ccc(Nc2nc(OCC(F)(F)F)nc(OCC(F)(F)F)n2)cc1
InChIInChI=1S/C14H12F6N4O3/c1-25-9-4-2-8(3-5-9)21-10-22-11(26-6-13(15,16)17)24-12(23-10)27-7-14(18,19)20/h2-5H,6-7H2,1H3,(H,21,22,23,24)
InChIKeyKOXKXHMJZBCMKQ-UHFFFAOYSA-N
MW398.26 g/mol
LogP3.51
Rot. Bonds7

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

N-(4-methoxyphenyl)-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine (PubChem CID 126478513) has the molecular formula C14H12F6N4O3 and a molecular weight of 398.26 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
PubChem CID126478513
Molecular FormulaC14H12F6N4O3
Molecular Weight398.26 g/mol
Exact Mass398.08
IUPAC NameN-(4-methoxyphenyl)-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
SMILESCOc1ccc(Nc2nc(OCC(F)(F)F)nc(OCC(F)(F)F)n2)cc1
InChIInChI=1S/C14H12F6N4O3/c1-25-9-4-2-8(3-5-9)21-10-22-11(26-6-13(15,16)17)24-12(23-10)27-7-14(18,19)20/h2-5H,6-7H2,1H3,(H,21,22,23,24)
InChIKeyKOXKXHMJZBCMKQ-UHFFFAOYSA-N
XLogP3.51
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.26
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(4-methoxyphenyl)-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

4-N-methyl-6-(2,2,2-trifluoroethoxy)-2-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine
CID 1044905
2-N-butan-2-yl-6-(2,2,2-trifluoroethoxy)-4-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine
CID 5171027
1-N,2-N-bis[4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]benzene-1,2-diamine
CID 2826886
2-N-(4-methoxyphenyl)-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80758431
N-[4-[chloro(difluoro)methoxy]phenyl]-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 619065
4-methyl-6-(2,2,2-trifluoroethoxy)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
CID 88586086
N-(4-fluorophenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 2796483
4-N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-6-(2,2,2-trifluoroethoxy)-2-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 87237325
2-N-[4-(aminomethyl)phenyl]-4-N-[[3-(aminomethyl)phenyl]methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
CID 67074644
4-[(2,6-dichlorophenyl)methyldiazenyl]-6-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine
CID 90735212
4-(4-phenoxyphenyl)-6-(2,2,2-trifluoroethoxy)-N-[3-(trifluoromethyl)phenyl]-1,3,5-triazin-2-amine
CID 58040449
4-N-[3-(1,1-difluoroethyl)phenyl]-2-N-propan-2-yl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
CID 70992647

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
The IUPAC name of N-(4-methoxyphenyl)-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine (CID 126478513) is N-(4-methoxyphenyl)-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for N-(4-methoxyphenyl)-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine is COc1ccc(Nc2nc(OCC(F)(F)F)nc(OCC(F)(F)F)n2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
The InChIKey is KOXKXHMJZBCMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F6N4O3/c1-25-9-4-2-8(3-5-9)21-10-22-11(26-6-13(15,16)17)24-12(23-10)27-7-14(18,19)20/h2-5H,6-7H2,1H3,(H,21,22,23,24).
What are the key properties of N-(4-methoxyphenyl)-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine?
N-(4-methoxyphenyl)-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine has a molecular weight of 398.26 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 126478513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).